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2-Butyn-1-ol, 4-[[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]thio]-
SpectraBase Compound ID DPPefayzXCK
InChI InChI=1S/C12H12N4O2S/c1-18-11-6-4-10(5-7-11)16-12(13-14-15-16)19-9-3-2-8-17/h4-7,17H,8-9H2,1H3
InChIKey RBNGKASQYOPSIR-UHFFFAOYSA-N
Mol Weight 276.31 g/mol
Molecular Formula C12H12N4O2S
Exact Mass 276.068097 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3wdyUHhf3lr
Name 2-Butyn-1-ol, 4-[[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]thio]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12N4O2S
InChI InChI=1S/C12H12N4O2S/c1-18-11-6-4-10(5-7-11)16-12(13-14-15-16)19-9-3-2-8-17/h4-7,17H,8-9H2,1H3
InChIKey RBNGKASQYOPSIR-UHFFFAOYSA-N
Molecular Weight 276.314 g/mol
SMILES OCC#CCSc1[n](nnn1)-c1ccc(OC)cc1
SPLASH splash10-000b-9810000000-5d350ecf6c27ded96845
Source of Spectrum IY-2-4714-7
Synonyms 4-[[1-(4-methoxyphenyl)-5-tetrazolyl]thio]-2-butyn-1-ol 4-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylbut-2-yn-1-ol 4-[[1-(4-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]but-2-yn-1-ol
Wiley ID 1655130