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1H-1,2,3,4-Tetrazole-1-propanoic acid, 2-(4-chlorophenyl)-2-oxoethyl ester
SpectraBase Compound ID CtsQfy7aLES
InChI InChI=1S/C12H11ClN4O3/c13-10-3-1-9(2-4-10)11(18)7-20-12(19)5-6-17-8-14-15-16-17/h1-4,8H,5-7H2
InChIKey XCMHXYPWVONPGG-UHFFFAOYSA-N
Mol Weight 294.7 g/mol
Molecular Formula C12H11ClN4O3
Exact Mass 294.051968 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EevhlEN2pj0
Name 1H-1,2,3,4-Tetrazole-1-propanoic acid, 2-(4-chlorophenyl)-2-oxoethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11ClN4O3
InChI InChI=1S/C12H11ClN4O3/c13-10-3-1-9(2-4-10)11(18)7-20-12(19)5-6-17-8-14-15-16-17/h1-4,8H,5-7H2
InChIKey XCMHXYPWVONPGG-UHFFFAOYSA-N
Molecular Weight 294.698 g/mol
SMILES c1(ccc(cc1)C(COC(CC[n]1cnnn1)=O)=O)Cl
SPLASH splash10-000i-6900000000-0771b8032faf91bea142
Source of Spectrum IY-2-4734-2
Synonyms 3-(1-tetrazolyl)propanoic acid [2-(4-chlorophenyl)-2-oxoethyl] ester [2-(4-chlorophenyl)-2-oxoethyl] 3-(tetrazol-1-yl)propanoate [2-(4-chlorophenyl)-2-oxo-ethyl] 3-(tetrazol-1-yl)propanoate [2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 3-(1,2,3,4-tetrazol-1-yl)propanoate
Wiley ID 1655325