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Benzoic acid, 4-(1H-triazirin-1-yl)-
SpectraBase Compound ID 87lnH32WYbp
InChI InChI=1S/C7H5N3O2/c11-7(12)5-1-3-6(4-2-5)10-8-9-10/h1-4H,(H,11,12)
InChIKey JAFYCYQCEONXFI-UHFFFAOYSA-N
Mol Weight 163.14 g/mol
Molecular Formula C7H5N3O2
Exact Mass 163.038176 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7n04lOVUrlN
Name Benzoic acid, 4-(1H-triazirin-1-yl)-
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H5N3O2
InChI InChI=1S/C7H5N3O2/c11-7(12)5-1-3-6(4-2-5)10-8-9-10/h1-4H,(H,11,12)
InChIKey JAFYCYQCEONXFI-UHFFFAOYSA-N
Molecular Weight 163.136 g/mol
SMILES OC(c1ccc(N2N=N2)cc1)=O
SPLASH splash10-01pa-9700000000-882d94022ab16b02e527
Source of Spectrum IY-1-4282-6
Synonyms 4-(1-triazirinyl)benzoic acid 4-(1,2,3-triazirin-1-yl)benzoic acid
Wiley ID 1650818