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2-Benzamido-4-pentynoic acid

View entire compound with spectra: 1 MS (GC)

2-Benzamido-4-pentynoic acid
SpectraBase Compound ID Bn0ejdhjeWp
InChI InChI=1S/C12H11NO3/c1-2-6-10(12(15)16)13-11(14)9-7-4-3-5-8-9/h1,3-5,7-8,10H,6H2,(H,13,14)(H,15,16)
InChIKey XGCXUUMQCVXJEC-UHFFFAOYSA-N
Mol Weight 217.22 g/mol
Molecular Formula C12H11NO3
Exact Mass 217.073893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6AesRTGVFow
Name 2-Benzamido-4-pentynoic acid
Alternate Name(s) 2-Benzamidopent-4-ynoic acid
CAS Registry Number 6813-61-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11NO3
InChI InChI=1S/C12H11NO3/c1-2-6-10(12(15)16)13-11(14)9-7-4-3-5-8-9/h1,3-5,7-8,10H,6H2,(H,13,14)(H,15,16)
InChIKey XGCXUUMQCVXJEC-UHFFFAOYSA-N
Molecular Weight 217.224 g/mol
SMILES N(C(=O)c1ccccc1)C(C(=O)O)CC#C
SPLASH splash10-0a4i-4900000000-63997fa00f160a21d943
Source of Spectrum J-48-3322-0
Wiley ID 1216517