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Methyl (1S,3S)-3-methyl-2,2-bis(phenylthio)cyclopropanecarboxylate
SpectraBase Compound ID BbX22Eq1Gmo
InChI InChI=1S/C18H18O2S2/c1-13-16(17(19)20-2)18(13,21-14-9-5-3-6-10-14)22-15-11-7-4-8-12-15/h3-13,16H,1-2H3/t13-,16-/m0/s1
InChIKey RZRXTFKCOMPBKF-BBRMVZONSA-N
Mol Weight 330.46 g/mol
Molecular Formula C18H18O2S2
Exact Mass 330.074822 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID sNrBs5p1QM
Name Methyl (1S,3S)-3-methyl-2,2-bis(phenylthio)cyclopropanecarboxylate
Appearance Colorless liquid
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Formula C18H18O2S2
InChI InChI=1S/C18H18O2S2/c1-13-16(17(19)20-2)18(13,21-14-9-5-3-6-10-14)22-15-11-7-4-8-12-15/h3-13,16H,1-2H3/t13-,16-/m0/s1
InChIKey RZRXTFKCOMPBKF-BBRMVZONSA-N
Instrument Name Shimadzu GCMS QP2010
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.p008.380
Molecular Weight 330.460 g/mol
SMILES [C@@]1([C@@](C1(Sc1ccccc1)Sc1ccccc1)(C)[H])(C(=O)OC)[H]
SPLASH splash10-03di-0900000000-4c0aa8a707d4d9e56f71
Sample Comments diastereomeric mixture (~1/1)
Source of Spectrum ARK-2014-84-(1S,3S)-4
Wiley ID 1845584