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Methyl 2-[(1H-tetraazol-5-ylamino)sulfonyl]benzoate
SpectraBase Compound ID 9UWQ7TOZAXR
InChI InChI=1S/C9H9N5O4S/c1-18-8(15)6-4-2-3-5-7(6)19(16,17)12-9-10-13-14-11-9/h2-5H,1H3,(H2,10,11,12,13,14)
InChIKey LMCLUXWWRQFWBQ-UHFFFAOYSA-N
Mol Weight 283.26 g/mol
Molecular Formula C9H9N5O4S
Exact Mass 283.037525 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IPmAfOdmMCE
Name Methyl 2-[(1H-tetraazol-5-ylamino)sulfonyl]benzoate
Alternate Name(s) 2-(2H-tetrazol-5-ylsulfamoyl)benzoic acid methyl ester Benzoic acid, 2-(5-tetrazolylaminosulfonyl)-, methyl ester Methyl 2-(2H-1,2,3,4-tetrazol-5-ylsulfamoyl)benzoate Methyl 2-(2H-tetrazol-5-ylsulfamoyl)benzoate
CAS Registry Number 311789-35-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9N5O4S
InChI InChI=1S/C9H9N5O4S/c1-18-8(15)6-4-2-3-5-7(6)19(16,17)12-9-10-13-14-11-9/h2-5H,1H3,(H2,10,11,12,13,14)
InChIKey LMCLUXWWRQFWBQ-UHFFFAOYSA-N
Molecular Weight 283.262 g/mol
SMILES N(c1nnn[nH]1)S(c1c(C(=O)OC)cccc1)(=O)=O
SPLASH splash10-002b-5900000000-0678a4ad6591c040bc97
Source of Spectrum AD-0-2532-0
Wiley ID 1433658