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Benzoic acid, 4-methyl-3-[[1-oxo-3-(1H-1,2,3,4-tetrazol-1-yl)propyl]amino]-
SpectraBase Compound ID CnltLxcI1iK
InChI InChI=1S/C12H13N5O3/c1-8-2-3-9(12(19)20)6-10(8)14-11(18)4-5-17-7-13-15-16-17/h2-3,6-7H,4-5H2,1H3,(H,14,18)(H,19,20)
InChIKey FXYDUSVFTSUNMW-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 Cp2rHfU2tPi
Name Benzoic acid, 4-methyl-3-[[1-oxo-3-(1H-1,2,3,4-tetrazol-1-yl)propyl]amino]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13N5O3
InChI InChI=1S/C12H13N5O3/c1-8-2-3-9(12(19)20)6-10(8)14-11(18)4-5-17-7-13-15-16-17/h2-3,6-7H,4-5H2,1H3,(H,14,18)(H,19,20)
InChIKey FXYDUSVFTSUNMW-UHFFFAOYSA-N
Molecular Weight 275.268 g/mol
SMILES N(C(CC[n]1nnnc1)=O)c1cc(C(O)=O)ccc1C
SPLASH splash10-052f-9100000000-c98e600c3a25ae4b6ea3
Source of Spectrum IY-1-4647-0
Synonyms 4-Methyl-3-[[1-oxo-3-(1-tetrazolyl)propyl]amino]benzoic acid 4-Methyl-3-[3-(1,2,3,4-tetrazol-1-yl)propanoylamino]benzoic acid
Wiley ID 1654453