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trans-3-Methyl-2(1'-phenylthioethyl)cyclopentanone
SpectraBase Compound ID AeGuKCusUiU
InChI InChI=1S/C14H18OS/c1-10-8-9-13(15)14(10)11(2)16-12-6-4-3-5-7-12/h3-7,10-11,14H,8-9H2,1-2H3/t10-,11?,14-/m0/s1
InChIKey KARCFPKQRUADMK-PEMBBPQUSA-N
Mol Weight 234.36 g/mol
Molecular Formula C14H18OS
Exact Mass 234.107836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 79cexmFefPU
Name trans-3-Methyl-2(1'-phenylthioethyl)cyclopentanone
Alternate Name(s) (2R,3S)-3-methyl-2-[1-(phenylsulfanyl)ethyl]cyclopentanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18OS
InChI InChI=1S/C14H18OS/c1-10-8-9-13(15)14(10)11(2)16-12-6-4-3-5-7-12/h3-7,10-11,14H,8-9H2,1-2H3/t10-,11?,14-/m0/s1
InChIKey KARCFPKQRUADMK-PEMBBPQUSA-N
Molecular Weight 234.357 g/mol
SMILES [C@@]1(C(Sc2ccccc2)C)(C(CC[C@@]1(C)[H])=O)[H]
SPLASH splash10-0a7j-9450000000-aa20835af361de67df52
Source of Spectrum F-47-7587-4
Wiley ID 1236060