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3-[(1S)-1-Methyl-2-(p-tolylthio)cyclohex-2-en-1-yl]propyl acetate
SpectraBase Compound ID 6yFgaFZ7EUg
InChI InChI=1S/C19H26O2S/c1-15-8-10-17(11-9-15)22-18-7-4-5-12-19(18,3)13-6-14-21-16(2)20/h7-11H,4-6,12-14H2,1-3H3/t19-/m0/s1
InChIKey XKFBECGQUIWLTJ-IBGZPJMESA-N
Mol Weight 318.48 g/mol
Molecular Formula C19H26O2S
Exact Mass 318.165351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1XMdnPTrDvi
Name 3-[(1S)-1-Methyl-2-(p-tolylthio)cyclohex-2-en-1-yl]propyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26O2S
InChI InChI=1S/C19H26O2S/c1-15-8-10-17(11-9-15)22-18-7-4-5-12-19(18,3)13-6-14-21-16(2)20/h7-11H,4-6,12-14H2,1-3H3/t19-/m0/s1
InChIKey XKFBECGQUIWLTJ-IBGZPJMESA-N
Molecular Weight 318.475 g/mol
SMILES C=1(Sc2ccc(cc2)C)[C@@](CCCOC(=O)C)(C)CCCC1
SPLASH splash10-014r-0947000000-a0b4d750b272a0cb8728
Source of Spectrum E1-43-1863-8
Synonyms 3-{(1S)-1-methyl-2-[(4-methylphenyl)sulfanyl]-2-cyclohexen-1-yl}propyl acetate
Wiley ID 1553199