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4-[(1-benzyltetrazol-5-yl)sulfanylmethyl]benzoic acid
SpectraBase Compound ID Hw9Gu9lIVNB
InChI InChI=1S/C16H14N4O2S/c21-15(22)14-8-6-13(7-9-14)11-23-16-17-18-19-20(16)10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,21,22)
InChIKey JYGGUCSLFNVFOF-UHFFFAOYSA-N
Mol Weight 326.37 g/mol
Molecular Formula C16H14N4O2S
Exact Mass 326.083747 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A9ji3qtKPxk
Name 4-[(1-benzyltetrazol-5-yl)sulfanylmethyl]benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14N4O2S
InChI InChI=1S/C16H14N4O2S/c21-15(22)14-8-6-13(7-9-14)11-23-16-17-18-19-20(16)10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,21,22)
InChIKey JYGGUCSLFNVFOF-UHFFFAOYSA-N
Molecular Weight 326.374 g/mol
SMILES OC(c1ccc(CSc2[n](nnn2)Cc2ccccc2)cc1)=O
SPLASH splash10-0006-9300000000-4fbb83205e786db773ac
Synonyms 4-[[(1-benzyltetrazol-5-yl)thio]methyl]benzoic acid 4-[[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]benzoic acid 4-[[[1-(phenylmethyl)-5-tetrazolyl]thio]methyl]benzoic acid Benzoic acid, 4-(1-benzyl-1H-tetrazol-5-ylsulfanylmethyl)-
Wiley ID 1440830