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Pyrazinamide
SpectraBase Compound ID GIFo0S3tApb
InChI InChI=1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9)
InChIKey IPEHBUMCGVEMRF-UHFFFAOYSA-N
Mol Weight 123.11 g/mol
Molecular Formula C5H5N3O
Exact Mass 123.043262 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LB9nbWUXc1X
Name Pyrazinamide
CAS Registry Number 98-96-4
Classification Pharmaceutical drug, tuberculostatic
Comments Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 123.043261792 u
Formula C5H5N3O
InChI InChI=1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9)
InChIKey IPEHBUMCGVEMRF-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 123.115 g/mol
Nominal Mass 123 u
Quality 990
Retention Index 1250
SMILES NC(C1=NC=CN=C1)=O
SPLASH splash10-0ul0-9300000000-76797ce1c3a082f943e5
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Pyrazine-2-carboxamide
Technique GC/MS
Wiley ID DD2024_019288