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1-Acetyl-1-(methylsulfanyl)-4-adamantyl-1,3-butadiene
SpectraBase Compound ID LREfKb9cNWQ
InChI InChI=1S/C17H24OS/c1-12(18)16(19-2)4-3-5-17-9-13-6-14(10-17)8-15(7-13)11-17/h3-5,13-15H,6-11H2,1-2H3/b5-3+,16-4-/t13-,14+,15-,17+
InChIKey GGWJWVIHZZBDHX-MZNKZQKCSA-N
Mol Weight 276.44 g/mol
Molecular Formula C17H24OS
Exact Mass 276.154787 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3HiEcgHpe1d
Name 1-Acetyl-1-(methylsulfanyl)-4-adamantyl-1,3-butadiene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24OS
InChI InChI=1S/C17H24OS/c1-12(18)16(19-2)4-3-5-17-9-13-6-14(10-17)8-15(7-13)11-17/h3-5,13-15H,6-11H2,1-2H3/b5-3+,16-4-/t13-,14+,15-,17+
InChIKey GGWJWVIHZZBDHX-MZNKZQKCSA-N
Molecular Weight 276.438 g/mol
SMILES C12(\C=C\C=C\(C(=O)C)SC)C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H]
SPLASH splash10-000m-0910000000-dc5505a68ee456285f08
Source of Spectrum F9-1988-641-0
Synonyms (3Z,5E)-6-(1-adamantyl)-3-(methylsulfanyl)-3,5-hexadien-2-one
Wiley ID 1565896