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(1S*,1a.beta.,3a.alpha.,6a.alpha.,6b.beta.)-1,3-Dimethoxy-1-methylthiomethyl-1,1a,3a,6,6a,6b-hexahydrocyclopropa[e]indene

View entire compound with spectra: 1 MS (GC)

(1S*,1a.beta.,3a.alpha.,6a.alpha.,6b.beta.)-1,3-Dimethoxy-1-methylthiomethyl-1,1a,3a,6,6a,6b-hexahydrocyclopropa[e]indene
SpectraBase Compound ID DQIk5ov1XNp
InChI InChI=1S/C14H20O2S/c1-15-12-7-11-13(10-6-4-5-9(10)12)14(11,16-2)8-17-3/h4-5,7,9-11,13H,6,8H2,1-3H3/t9-,10+,11+,13-,14-/m1/s1
InChIKey PHUKLRVXZSNVFG-CAFXUDQZSA-N
Mol Weight 252.37 g/mol
Molecular Formula C14H20O2S
Exact Mass 252.118401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID eP5NWzgNwr
Name (1S*,1a.beta.,3a.alpha.,6a.alpha.,6b.beta.)-1,3-Dimethoxy-1-methylthiomethyl-1,1a,3a,6,6a,6b-hexahydrocyclopropa[e]indene
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Formula C14H20O2S
InChI InChI=1S/C14H20O2S/c1-15-12-7-11-13(10-6-4-5-9(10)12)14(11,16-2)8-17-3/h4-5,7,9-11,13H,6,8H2,1-3H3/t9-,10+,11+,13-,14-/m1/s1
InChIKey PHUKLRVXZSNVFG-CAFXUDQZSA-N
Molecular Weight 252.372 g/mol
SMILES [C@@]1([C@]2(C=C(OC)[C@]3([C@@]([C@@]12[H])(CC=C3)[H])[H])[H])(OC)CSC
SPLASH splash10-000i-0930000000-8e757390a763e7b51d24
Source of Spectrum KC-0-572-10
Synonyms (1S,1aS,3aR,6aS,6bR)-1,3-dimethoxy-1-[(methylsulfanyl)methyl]-1,1a,3a,6,6a,6b-hexahydrocyclopropa[e]indene
Wiley ID 787463