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Isoniazid
SpectraBase Compound ID HUzJFI5ivAD
InChI InChI=1S/C6H7N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4H,7H2,(H,9,10)
InChIKey QRXWMOHMRWLFEY-UHFFFAOYSA-N
Mol Weight 137.14 g/mol
Molecular Formula C6H7N3O
Exact Mass 137.058912 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GV4JRuSPzFo
Name Isoniazid
CAS Registry Number 54-85-3
Classification Pharmaceutical drug, tuberculostatic
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 137.058911856 u
Formula C6H7N3O
InChI InChI=1S/C6H7N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4H,7H2,(H,9,10)
InChIKey QRXWMOHMRWLFEY-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 137.142 g/mol
Nominal Mass 137 u
Quality 991
Retention Index 1670
SMILES NNC(C1=CC=NC=C1)=O
SPLASH splash10-0fb9-9400000000-c639cd8cae02df885545
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Pyridine-4-carbohydrazide
Technique GC/MS
Wiley ID DD2024_001775