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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 Jgc5hT4ZWbL
Name Methyl {{[(4R)-3,3-Dimethyl-4-(2-oxoethyl)cyclopent-1-enyl]methyl}thio}acetate
Alternate Name(s) Methyl (R)-2-(((3,3-dimethyl-4-(2-oxoethyl)cyclopent-1-en-1-yl)methyl)thio)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
Literature Reference DOI 10.1002_(SICI)1522-2675(20000315)83_3_616
Molecular Weight 256.360 g/mol
SMILES C1(C=C(C[C@@]1(CC=O)[H])CSCC(OC)=O)(C)C
SPLASH splash10-0a4u-6920000000-1762dc88247c4327fbec
Source of Spectrum H-83-627-4g
Wiley ID 1787500