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(E)- ansd (Z)-(4R,5S,6S)-4-Methyl-3,5,6-tris(phenylthio)hept-2-ene
SpectraBase Compound ID 90rhdSY3crX
InChI InChI=1S/C26H28S3/c1-4-25(28-23-16-10-6-11-17-23)20(2)26(29-24-18-12-7-13-19-24)21(3)27-22-14-8-5-9-15-22/h4-21,26H,1-3H3/b25-4-
InChIKey SFODMLZAYZWMQV-UJOWUYHQSA-N
Mol Weight 436.69 g/mol
Molecular Formula C26H28S3
Exact Mass 436.135314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F7q5t4ghmGk
Name (E)- ansd (Z)-(4R,5S,6S)-4-Methyl-3,5,6-tris(phenylthio)hept-2-ene
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Formula C26H28S3
InChI InChI=1S/C26H28S3/c1-4-25(28-23-16-10-6-11-17-23)20(2)26(29-24-18-12-7-13-19-24)21(3)27-22-14-8-5-9-15-22/h4-21,26H,1-3H3/b25-4-
InChIKey SFODMLZAYZWMQV-UJOWUYHQSA-N
Molecular Weight 436.690 g/mol
SMILES C(\C(Sc1ccccc1)=C\C)(C(Sc1ccccc1)C(Sc1ccccc1)C)C
SPLASH splash10-06tk-0901000000-da61cd1e219a5dcfe325
Source of Spectrum KC-0-2965-31
Synonyms (E)- ansd (Z)-(4RS,5RS,6SR)-4-Methyl-3,5,6-tris(phenylthio)hept-2-ene (E)-(4RS,5RS,6SR)-4-Methyl-3,5,6-tris(phenylthio)hept-2-ene ({(1Z)-1-[(1R,2S,3S)-1-methyl-2,3-bis(phenylsulfanyl)butyl]-1-propenyl}sulfanyl)benzene
Wiley ID 782360