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(R)-Methyl 2,3,4,5,6,7,8,9-octahydrocycloocta[b]thiophene-2-carboxylate
SpectraBase Compound ID LXtbd7OENrs
InChI InChI=1S/C12H18O2S/c1-14-12(13)11-8-9-6-4-2-3-5-7-10(9)15-11/h11H,2-8H2,1H3/t11-/m1/s1
InChIKey GKXBYWMZHXWDPB-LLVKDONJSA-N
Mol Weight 226.33 g/mol
Molecular Formula C12H18O2S
Exact Mass 226.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EfxJVM846rv
Name (R)-Methyl 2,3,4,5,6,7,8,9-octahydrocycloocta[b]thiophene-2-carboxylate
Appearance Pale yellow oil
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Exact Mass 226.102750992 u
Formula C12H18O2S
InChI InChI=1S/C12H18O2S/c1-14-12(13)11-8-9-6-4-2-3-5-7-10(9)15-11/h11H,2-8H2,1H3/t11-/m1/s1
InChIKey GKXBYWMZHXWDPB-LLVKDONJSA-N
Instrument Name Double focusing AMD 604
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0002.215
Molecular Weight 226.334 g/mol
Quality 894
SMILES COC(=O)[C@]1(CC2=C(S1)CCCCCC2)[H]
SPLASH splash10-0002-5910000000-540e7d2c507f0ae66742
Source of Spectrum ARK-2001-138-7b (DOI: 10.3998/ark.5550190.0002.215)
Thin-Layer Chromatography 0.45 (petroleum ether/diethyl ether, 3:1)
Wiley ID 1908677