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u-4-Methyl-3-sulfanylhexyl acetate
SpectraBase Compound ID EFEu606EyD8
InChI InChI=1S/C9H18O2S/c1-4-7(2)9(12)5-6-11-8(3)10/h7,9,12H,4-6H2,1-3H3/t7-,9+/m1/s1
InChIKey BFCWPKTXVJYQQB-APPZFPTMSA-N
Mol Weight 190.3 g/mol
Molecular Formula C9H18O2S
Exact Mass 190.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C6p446R1FMD
Name u-4-Methyl-3-sulfanylhexyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18O2S
InChI InChI=1S/C9H18O2S/c1-4-7(2)9(12)5-6-11-8(3)10/h7,9,12H,4-6H2,1-3H3/t7-,9+/m1/s1
InChIKey BFCWPKTXVJYQQB-APPZFPTMSA-N
Literature Reference DOI 10.1002/cbdv.200690103
Molecular Weight 190.301 g/mol
SMILES S[C@]([C@@](CC)(C)[H])(CCOC(=O)C)[H]
SPLASH splash10-0kgo-9300000000-443752f1060bda77b744
Source of Spectrum CBD-3-946-u_7
Synonyms (3S,4R)-3-mercapto-4-methylhexyl acetate
Wiley ID 1793333