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1H-1,2,3-Triazole, 5-butyl-1-[(4-methylphenyl)sulfonyl]-
SpectraBase Compound ID GGrq0i75RuS
InChI InChI=1S/C13H17N3O2S/c1-3-4-5-12-10-14-15-16(12)19(17,18)13-8-6-11(2)7-9-13/h6-10H,3-5H2,1-2H3
InChIKey JJPZKKUPEBDBCH-UHFFFAOYSA-N
Mol Weight 279.36 g/mol
Molecular Formula C13H17N3O2S
Exact Mass 279.104148 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C1Xx649cmHt
Name 1H-1,2,3-Triazole, 5-butyl-1-[(4-methylphenyl)sulfonyl]-
CAS Registry Number 96409-91-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17N3O2S
InChI InChI=1S/C13H17N3O2S/c1-3-4-5-12-10-14-15-16(12)19(17,18)13-8-6-11(2)7-9-13/h6-10H,3-5H2,1-2H3
InChIKey JJPZKKUPEBDBCH-UHFFFAOYSA-N
Molecular Weight 279.358 g/mol
SMILES c1(S([n]2nncc2CCCC)(=O)=O)ccc(cc1)C
SPLASH splash10-052p-7900000000-9f37627a701370f9d219
Source of Spectrum K-118-1017-7
Synonyms 5-Butyl-1-(4-methylphenylsulfonyl)-1,2,3-triazol 5-Butyl-1-[(4-methylphenyl)sulfonyl]-1H-1,2,3-triazole
Wiley ID 1282809