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S-Methyl trans-1-methyl-5-styryl-2-oxocyclopentane-r-1-thiocarboxylate
SpectraBase Compound ID 9PRu9OcVtm2
InChI InChI=1S/C16H18O2S/c1-16(15(18)19-2)13(10-11-14(16)17)9-8-12-6-4-3-5-7-12/h3-9,13H,10-11H2,1-2H3/b9-8+/t13-,16-/m0/s1
InChIKey KNNJCIUJUZAWKA-OPIZNEOISA-N
Mol Weight 274.38 g/mol
Molecular Formula C16H18O2S
Exact Mass 274.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DIonQqd1Jv
Name S-Methyl trans-1-methyl-5-styryl-2-oxocyclopentane-r-1-thiocarboxylate
CAS Registry Number 139378-16-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O2S
InChI InChI=1S/C16H18O2S/c1-16(15(18)19-2)13(10-11-14(16)17)9-8-12-6-4-3-5-7-12/h3-9,13H,10-11H2,1-2H3/b9-8+/t13-,16-/m0/s1
InChIKey KNNJCIUJUZAWKA-OPIZNEOISA-N
Molecular Weight 274.378 g/mol
SMILES [C@]1(C(=O)SC)(C(CC[C@@]1(\C=C\c1ccccc1)[H])=O)C
SPLASH splash10-0006-0920000000-b4deb54fea7a263f0162
Source of Spectrum J-57-2261-11
Synonyms S-methyl (1S,5R)-1-methyl-2-oxo-5-[(E)-2-phenylethenyl]cyclopentanecarbothioate
Wiley ID 1278186