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1(S)-S-Methyl 5-(3,4-Methylenedioxystryl)-2-methylcyclopent-2-enecarbothioate
SpectraBase Compound ID 2HMyhPixqr1
InChI InChI=1S/C17H18O3S/c1-11-3-6-13(16(11)17(18)21-2)7-4-12-5-8-14-15(9-12)20-10-19-14/h3-5,7-9,13,16H,6,10H2,1-2H3/b7-4+/t13?,16-/m1/s1
InChIKey CKUOGDQGIUAXBF-USBXAXLKSA-N
Mol Weight 302.39 g/mol
Molecular Formula C17H18O3S
Exact Mass 302.097666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Izxvgvl9X1k
Name 1(S)-S-Methyl 5-(3,4-Methylenedioxystryl)-2-methylcyclopent-2-enecarbothioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O3S
InChI InChI=1S/C17H18O3S/c1-11-3-6-13(16(11)17(18)21-2)7-4-12-5-8-14-15(9-12)20-10-19-14/h3-5,7-9,13,16H,6,10H2,1-2H3/b7-4+/t13?,16-/m1/s1
InChIKey CKUOGDQGIUAXBF-USBXAXLKSA-N
Molecular Weight 302.388 g/mol
SMILES C([C@@]1(C(=CCC1\C=C\c1cc2OCOc2cc1)C)[H])(=O)SC
SPLASH splash10-0f9i-0966000000-7d778ddc72e9ef8e8ba3
Source of Spectrum KC-0-1549-12
Synonyms S-methyl (1S)-5-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-2-methyl-2-cyclopentene-1-carbothioate S-Methyl 5-(3,4-Methylenedioxystryl)-2-methylcyclopent-2-enecarbothioate
Wiley ID 830960