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Methyl {{[(4R)-3,3-Dimethyl-4-(2-oxoethyl)cyclopent-1-enyl]methyl}thio}acetate
SpectraBase Compound ID JTDuvdTJzjI
InChI InChI=1S/C13H20O3S/c1-13(2)7-10(6-11(13)4-5-14)8-17-9-12(15)16-3/h5,7,11H,4,6,8-9H2,1-3H3/t11-/m0/s1
InChIKey UEOQBCOZSMMBIC-NSHDSACASA-N
Mol Weight 256.36 g/mol
Molecular Formula C13H20O3S
Exact Mass 256.113316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GDbDzL9SJFd
Name Methyl {3,3-dimethyl-4-(2'-oxoethyl)cyclopent-1'-enyl]methylthio}acetate
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Formula C13H20O3S
InChI InChI=1S/C13H20O3S/c1-13(2)7-10(6-11(13)4-5-14)8-17-9-12(15)16-3/h5,7,11H,4,6,8-9H2,1-3H3/t11-/m0/s1
InChIKey UEOQBCOZSMMBIC-NSHDSACASA-N
Molecular Weight 256.360 g/mol
SMILES C1(C=C(CSCC(=O)OC)C[C@@]1(CC=O)[H])(C)C
SPLASH splash10-0a4u-6920000000-2bc6feaf4d749bb4e934
Source of Spectrum H-83-627-4
Synonyms 2-[[(4R)-3,3-dimethyl-4-(2-oxoethyl)-1-cyclopentenyl]methylthio]acetic acid methyl ester Methyl 2-[[(4R)-3,3-dimethyl-4-(2-oxoethyl)cyclopenten-1-yl]methylsulfanyl]acetate Methyl 2-[[(4R)-3,3-dimethyl-4-(2-oxidanylideneethyl)cyclopenten-1-yl]methylsulfanyl]ethanoate
Wiley ID 846906