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3-Nitrophenylacetic acid
SpectraBase Compound ID CDRZP9BvpnU
InChI InChI=1S/C8H7NO4/c10-8(11)5-6-2-1-3-7(4-6)9(12)13/h1-4H,5H2,(H,10,11)
InChIKey WUKHOVCMWXMOOA-UHFFFAOYSA-N
Mol Weight 181.15 g/mol
Molecular Formula C8H7NO4
Exact Mass 181.037508 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8hcJr5YFUtc
Name Benzeneacetic acid, 3-nitro-
CAS Registry Number 1877-73-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7NO4
InChI InChI=1S/C8H7NO4/c10-8(11)5-6-2-1-3-7(4-6)9(12)13/h1-4H,5H2,(H,10,11)
InChIKey WUKHOVCMWXMOOA-UHFFFAOYSA-N
Molecular Weight 181.147 g/mol
SMILES OC(=O)Cc1cc(ccc1)N(=O)=O
SPLASH splash10-000l-9600000000-aa78c454c385e3e20427
Source of Spectrum W5-12530-0-0
Synonyms (3-nitrophenyl)acetic acid (m-nitrophenyl)acetic acid 2-(3-nitrophenyl)acetic acid 3-Nitrobenzeneacetic acid Acetic acid, (m-nitrophenyl)- BRN 2050088 CCRIS 2337 EINECS 217-512-7 NSC 93911
Wiley ID 1177271