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SpecData (NMR Spectral Database)

Access Type
On-campus access: IP authentication; Off-campus access: WebVPN or RVPN
Purchasing Type
Officially purchased resource
Types
Factual Database
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Introduction
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SpecData, the Nuclear Magnetic Resonance (NMR) Carbon Spectrum Database of Organic Compounds, is specifically designed for research in natural products, organic synthesis, and pharmaceutical development. With over 880,000 organic compounds currently indexed, it stands as the world's largest NMR carbon spectrum database, serving disciplines including pharmaceuticals, chemistry, and life sciences.

Key Features:

Structure Identification: Enables researchers to search and match measured carbon spectrum data against known compounds for rapid structural determination

Spectrum Simulation: Provides simulated carbon spectra for intuitive visual comparison

Comprehensive References: Includes cited literature and author information for verification

Five Search Modes:

  • Exact match
  • Fuzzy search
  • Advanced search
  • Functional group search
  • Approximate database search

Four Keyword Search Options (via "Compound Information Query" or "Compound Composite Information Query"):

  • Compound name
  • Author
  • Plant name (genus or species)
  • Molecular formula

The database is updated weekly with 10,000+ new compounds, sourced from peer-reviewed academic journals worldwide.

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User Guide