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2-Methyl-3-(thiophenyl)-heptan-2-ol
SpectraBase Compound ID ATTgaXTCUOm
InChI InChI=1S/C14H22OS/c1-4-5-11-13(14(2,3)15)16-12-9-7-6-8-10-12/h6-10,13,15H,4-5,11H2,1-3H3
InChIKey VKMLHHNPHCMUDU-UHFFFAOYSA-N
Mol Weight 238.39 g/mol
Molecular Formula C14H22OS
Exact Mass 238.139137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3qXdwFWjtyr
Name 2-Methyl-3-(thiophenyl)-heptan-2-ol
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22OS
InChI InChI=1S/C14H22OS/c1-4-5-11-13(14(2,3)15)16-12-9-7-6-8-10-12/h6-10,13,15H,4-5,11H2,1-3H3
InChIKey VKMLHHNPHCMUDU-UHFFFAOYSA-N
Literature Reference DOI 10.1002_1615-4169(200206)344_3-4_379
Molecular Weight 238.389 g/mol
SMILES OC(C(Sc1ccccc1)CCCC)(C)C
SPLASH splash10-03e9-2900000000-812711d9250f0e1e9962
Source of Spectrum ASC-344-382-382_4
Synonyms 2-Methyl-3-(phenylthio)heptan-2-ol 2-Methyl-3-(phenylthio)-2-heptanol 2-Methyl-3-phenylsulfanylheptan-2-ol 2-Methyl-3-phenylsulfanyl-heptan-2-ol
Wiley ID 1767266