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4-(Azidomethyl)benzoic acid
SpectraBase Compound ID 5d86BQc6ryN
InChI InChI=1S/C8H7N3O2/c9-11-10-5-6-1-3-7(4-2-6)8(12)13/h1-4H,5H2,(H,12,13)
InChIKey QWRURNUFBGDSDL-UHFFFAOYSA-N
Mol Weight 177.16 g/mol
Molecular Formula C8H7N3O2
Exact Mass 177.053826 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2silwb1O7c
Name 4-(azidomethyl)benzoic acid
Appearance White granular powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 177.053826475 u
Formula C8H7N3O2
InChI InChI=1S/C8H7N3O2/c9-11-10-5-6-1-3-7(4-2-6)8(12)13/h1-4H,5H2,(H,12,13)
InChIKey QWRURNUFBGDSDL-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/chem.201704179
Molecular Weight 177.163 g/mol
Quality 78
SMILES OC(C1=CC=C(C=C1)CN=[N+]=[N-])=O
SPLASH splash10-000j-0900000000-fb5716a29460103e3f24
Source of Spectrum QE-24-1627-2 (DOI: 10.1002/chem.201704179)
Wiley ID 1901882