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(S)-Ethyl 3-(4-(2-(phenylthio)propan-2-yl)cyclohex-1-enyl)propanoate
SpectraBase Compound ID 7uvMohrKzi3
InChI InChI=1S/C20H28O2S/c1-4-22-19(21)15-12-16-10-13-17(14-11-16)20(2,3)23-18-8-6-5-7-9-18/h5-10,17H,4,11-15H2,1-3H3/t17-/m1/s1
InChIKey RNYGWZGBAZLWCD-QGZVFWFLSA-N
Mol Weight 332.5 g/mol
Molecular Formula C20H28O2S
Exact Mass 332.181001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LEN9g6eF0bT
Name (S)-Ethyl 3-(4-(2-(phenylthio)propan-2-yl)cyclohex-1-enyl)propanoate
Appearance White solid
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Formula C20H28O2S
InChI InChI=1S/C20H28O2S/c1-4-22-19(21)15-12-16-10-13-17(14-11-16)20(2,3)23-18-8-6-5-7-9-18/h5-10,17H,4,11-15H2,1-3H3/t17-/m1/s1
InChIKey RNYGWZGBAZLWCD-QGZVFWFLSA-N
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202000657
Molecular Weight 332.502 g/mol
Reported Formula C20H28O2S
SMILES C1C[C@@](CC=C1CCC(OCC)=O)(C(C)(C)Sc1ccccc1)[H]
SPLASH splash10-00du-4930000000-76cad7a359737cebe4a3
Source of Spectrum ASC-362-SM19-9p
Wiley ID 1855552