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Butyl 3-(2-Hydroxy-3,5-dimethylbenzylsulfanyl)propionate
SpectraBase Compound ID 91mgI5jOvpK
InChI InChI=1S/C16H24O3S/c1-4-5-7-19-15(17)6-8-20-11-14-10-12(2)9-13(3)16(14)18/h9-10,18H,4-8,11H2,1-3H3
InChIKey XLGODQHYLDUDOT-UHFFFAOYSA-N
Mol Weight 296.42 g/mol
Molecular Formula C16H24O3S
Exact Mass 296.144616 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KSKRI9xguOJ
Name Butyl 3-(2-Hydroxy-3,5-dimethylbenzylsulfanyl)propionate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24O3S
InChI InChI=1S/C16H24O3S/c1-4-5-7-19-15(17)6-8-20-11-14-10-12(2)9-13(3)16(14)18/h9-10,18H,4-8,11H2,1-3H3
InChIKey XLGODQHYLDUDOT-UHFFFAOYSA-N
Molecular Weight 296.425 g/mol
SMILES Oc1c(cc(cc1C)C)CSCCC(=O)OCCCC
SPLASH splash10-000l-5920000000-b641343e95981afdb447
Source of Spectrum F4-41-3850-1a
Synonyms 3-[(2-hydroxy-3,5-dimethylphenyl)methylthio]propanoic acid butyl ester Butyl 3-[(2-hydroxy-3,5-dimethylphenyl)methylsulfanyl]propanoate Butyl 3-[(2-hydroxy-3,5-dimethyl-phenyl)methylsulfanyl]propanoate Butyl 3-[(3,5-dimethyl-2-oxidanyl-phenyl)methylsulfanyl]propanoate
Wiley ID 1673165