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4-(4-Allyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-(isopentyloxy)-2-butanol
SpectraBase Compound ID 3v3c2jUU6F8
InChI InChI=1S/C14H25N3O2S/c1-4-8-17-13(15-16-14(17)20)6-5-12(18)10-19-9-7-11(2)3/h4,11-12,18H,1,5-10H2,2-3H3,(H,16,20)
InChIKey USPHOYKAXUJGIA-UHFFFAOYSA-N
Mol Weight 299.43 g/mol
Molecular Formula C14H25N3O2S
Exact Mass 299.166748 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CqBbY6PA2gQ
Name 4-(4-Allyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-(isopentyloxy)-2-butanol
CAS Registry Number 327170-25-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H25N3O2S
InChI InChI=1S/C14H25N3O2S/c1-4-8-17-13(15-16-14(17)20)6-5-12(18)10-19-9-7-11(2)3/h4,11-12,18H,1,5-10H2,2-3H3,(H,16,20)
InChIKey USPHOYKAXUJGIA-UHFFFAOYSA-N
Molecular Weight 299.433 g/mol
SMILES OC(CCc1[n](c(nn1)S)CC=C)COCCC(C)C
SPLASH splash10-06tb-1940000000-f57f852d6e4c2a529bd1
Synonyms 3-[3-hydroxy-4-(3-methylbutoxy)butyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione 3-[4-(3-methylbutoxy)-3-oxidanyl-butyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione 4-(4-Allyl-5-mercapto-4H-[1,2,4]triazol-3-yl)-1-(3-methyl-butoxy)-butan-2-ol 4-Allyl-3-(3-hydroxy-4-isoamoxy-butyl)-1H-1,2,4-triazole-5-thione 4-Allyl-3-(3-hydroxy-4-isopentyloxy-butyl)-1H-1,2,4-triazole-5-thione
Wiley ID 1462351