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4-Hydroxymethyl-5-phenyl-5-phenylthiopenta-1,4(E)-diene
SpectraBase Compound ID 3RTGtcoG2Xd
InChI InChI=1S/C18H18OS/c1-2-9-16(14-19)18(15-10-5-3-6-11-15)20-17-12-7-4-8-13-17/h2-8,10-13,19H,1,9,14H2/b18-16+
InChIKey YGNPPXANOABUAR-FBMGVBCBSA-N
Mol Weight 282.4 g/mol
Molecular Formula C18H18OS
Exact Mass 282.107836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JVUVNgJ2qvZ
Name 4-Hydroxymethyl-5-phenyl-5-phenylthiopenta-1,4(E)-diene
Alternate Name(s) (E)-2-(phenyl(phenylthio)methylene)pent-4-en-1-ol (2E)-2-[phenyl-(phenylthio)methylidene]-4-penten-1-ol (2E)-2-[phenyl(phenylsulfanyl)methylene]pent-4-en-1-ol (2E)-2-[phenyl(phenylsulfanyl)methylidene]pent-4-en-1-ol
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Formula C18H18OS
InChI InChI=1S/C18H18OS/c1-2-9-16(14-19)18(15-10-5-3-6-11-15)20-17-12-7-4-8-13-17/h2-8,10-13,19H,1,9,14H2/b18-16+
InChIKey YGNPPXANOABUAR-FBMGVBCBSA-N
Literature Reference DOI 10.1021/ol062686r
Molecular Weight 282.401 g/mol
SMILES OC\C(CC=C)=C/(Sc1ccccc1)c1ccccc1
SPLASH splash10-0a6u-3940000000-a89baf8394820163e538
Source of Spectrum A1-9-263/SMS8-3ta
Wiley ID 1757766