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S-Methyl trans-5-styryl-2-oxocyclopentane-r-1-thiocarboxylate
SpectraBase Compound ID 3EB0b1iGA1U
InChI InChI=1S/C15H16O2S/c1-17-15(18)13-10-9-12(14(13)16)8-7-11-5-3-2-4-6-11/h2-8,12-13H,9-10H2,1H3/b8-7+/t12-,13-/m1/s1
InChIKey GHYCFYIWEVBUDD-WUOSCTTQSA-N
Mol Weight 260.35 g/mol
Molecular Formula C15H16O2S
Exact Mass 260.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3XzIJpuYAxF
Name S-Methyl trans-5-styryl-2-oxocyclopentane-r-1-thiocarboxylate
Alternate Name(s) O-methyl (1R,3S)-2-oxo-3-[(E)-2-phenylethenyl]cyclopentanecarbothioate
CAS Registry Number 139378-15-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16O2S
InChI InChI=1S/C15H16O2S/c1-17-15(18)13-10-9-12(14(13)16)8-7-11-5-3-2-4-6-11/h2-8,12-13H,9-10H2,1H3/b8-7+/t12-,13-/m1/s1
InChIKey GHYCFYIWEVBUDD-WUOSCTTQSA-N
Molecular Weight 260.351 g/mol
SMILES [C@]1(C([C@](\C=C\c2ccccc2)(CC1)[H])=O)(C(=S)OC)[H]
SPLASH splash10-000i-0930000000-eaebda46b55fcfd26001
Source of Spectrum J-57-2261-11
Wiley ID 1263733