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2-(2-phenyl-2-nitroethyl)benzoic acid
SpectraBase Compound ID FfcHYeEPQ2z
InChI InChI=1S/C15H13NO4/c17-15(18)13-9-5-4-8-12(13)10-14(16(19)20)11-6-2-1-3-7-11/h1-9,14H,10H2,(H,17,18)
InChIKey DTLPRDVHDDFSCK-UHFFFAOYSA-N
Mol Weight 271.27 g/mol
Molecular Formula C15H13NO4
Exact Mass 271.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FUYONK3YULn
Name 2-(2-phenyl-2-nitroethyl)benzoic acid
CAS Registry Number 115912-95-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13NO4
InChI InChI=1S/C15H13NO4/c17-15(18)13-9-5-4-8-12(13)10-14(16(19)20)11-6-2-1-3-7-11/h1-9,14H,10H2,(H,17,18)
InChIKey DTLPRDVHDDFSCK-UHFFFAOYSA-N
Molecular Weight 271.272 g/mol
SMILES OC(c1c(CC(N(=O)=O)c2ccccc2)cccc1)=O
SPLASH splash10-0bb9-0980000000-ed3cdcee494779dc4379
Source of Spectrum J-53-4680-30
Synonyms 2-(2-nitro-2-phenylethyl)benzoic acid
Wiley ID 1275266