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2-(1-Methyl-2-anti-hydroxy-4-phenyl-3-butenyl)methylene-1,3-dithiacyclohexane
SpectraBase Compound ID 6aiXXQhBqDM
InChI InChI=1S/C16H20OS2/c1-13(12-16-18-10-5-11-19-16)15(17)9-8-14-6-3-2-4-7-14/h2-4,6-9,12-13,15,17H,5,10-11H2,1H3/b9-8+
InChIKey ANOQAEZQAUCJNN-CMDGGOBGSA-N
Mol Weight 292.45 g/mol
Molecular Formula C16H20OS2
Exact Mass 292.095558 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID An00kWTLHYG
Name 2-(1-Methyl-2-anti-hydroxy-4-phenyl-3-butenyl)methylene-1,3-dithiacyclohexane
CAS Registry Number 106501-13-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20OS2
InChI InChI=1S/C16H20OS2/c1-13(12-16-18-10-5-11-19-16)15(17)9-8-14-6-3-2-4-7-14/h2-4,6-9,12-13,15,17H,5,10-11H2,1H3/b9-8+
InChIKey ANOQAEZQAUCJNN-CMDGGOBGSA-N
Molecular Weight 292.455 g/mol
SMILES OC(\C=C\c1ccccc1)C(C=C1SCCCS1)C
SPLASH splash10-0a4i-0900000000-f2c137a9608f6f11eace
Source of Spectrum J-52-859-8
Synonyms 2-(1-Methyl-2-syn-hydroxy-4-phenyl-3-butenyl)methylene-1,3-dithiacyclohexane (1E)-5-(1,3-dithian-2-ylidene)-4-methyl-1-phenyl-1-penten-3-ol
Wiley ID 1295336