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3-Phenyl-4-(1H-tetrazol-5-ylcarbamoyl)-butyric acid

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-Phenyl-4-(1H-tetrazol-5-ylcarbamoyl)-butyric acid
SpectraBase Compound ID A15ajzIQ8bR
InChI InChI=1S/C12H13N5O3/c18-10(13-12-14-16-17-15-12)6-9(7-11(19)20)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,19,20)(H2,13,14,15,16,17,18)
InChIKey UGHHCYZCMXVDJW-UHFFFAOYSA-N
Mol Weight 275.27 g/mol
Molecular Formula C12H13N5O3
Exact Mass 275.101839 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4yJTOnStc
Name 3-Phenyl-4-(1H-tetrazol-5-ylcarbamoyl)-butyric acid
Alternate Name(s) 5-keto-3-phenyl-5-(2H-tetrazol-5-ylamino)valeric acid 5-Oxidanylidene-3-phenyl-5-(2H-1,2,3,4-tetrazol-5-ylamino)pentanoic acid 5-Oxo-3-phenyl-5-(1H-tetraazol-5-ylamino)pentanoic acid 5-Oxo-3-phenyl-5-(2H-tetrazol-5-ylamino)pentanoic acid
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Formula C12H13N5O3
InChI InChI=1S/C12H13N5O3/c18-10(13-12-14-16-17-15-12)6-9(7-11(19)20)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,19,20)(H2,13,14,15,16,17,18)
InChIKey UGHHCYZCMXVDJW-UHFFFAOYSA-N
Molecular Weight 275.268 g/mol
SMILES [nH]1c(nnn1)NC(CC(CC(=O)O)c1ccccc1)=O
SPLASH splash10-0zi0-3910000000-72e9332c2e0a5470df33
Wiley ID 1459845