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(S,R)-Methyl 3-(2'-thiophenylcarbonyl)cyclohexanone-2-acetate
SpectraBase Compound ID 9eHp9GX9als
InChI InChI=1S/C14H16O4S/c1-18-13(16)8-10-9(4-2-5-11(10)15)14(17)12-6-3-7-19-12/h3,6-7,9-10H,2,4-5,8H2,1H3/t9-,10+/m0/s1
InChIKey ZQQRBNFKQKOTIP-VHSXEESVSA-N
Mol Weight 280.34 g/mol
Molecular Formula C14H16O4S
Exact Mass 280.07693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2cGWenclkHN
Name (S,R)-Methyl 3-(2'-thiophenylcarbonyl)cyclohexanone-2-acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O4S
InChI InChI=1S/C14H16O4S/c1-18-13(16)8-10-9(4-2-5-11(10)15)14(17)12-6-3-7-19-12/h3,6-7,9-10H,2,4-5,8H2,1H3/t9-,10+/m0/s1
InChIKey ZQQRBNFKQKOTIP-VHSXEESVSA-N
Molecular Weight 280.338 g/mol
SMILES C([C@@]1([C@](C(=O)CCC1)(CC(=O)OC)[H])[H])(c1sccc1)=O
SPLASH splash10-03dr-3900000000-0df4cb298e742dc23244
Source of Spectrum SO-0-664-5
Synonyms Methyl[(1R,6S)-2-oxo-6-(2-thienylcarbonyl)cyclohexyl]acetate
Wiley ID 873035