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Dimethyl 4-(Phenylsulfinyl)-(1R*,2R*)-4-cyclohexene-1,2-dicarboxylate
SpectraBase Compound ID 8fbPXR1D8mt
InChI InChI=1S/C16H18O5S/c1-20-15(17)13-9-8-12(10-14(13)16(18)21-2)22(19)11-6-4-3-5-7-11/h3-8,13-14H,9-10H2,1-2H3/t13-,14-,22?/m0/s1
InChIKey FMCFTEDXCWHJHO-LYXHXKSRSA-N
Mol Weight 322.38 g/mol
Molecular Formula C16H18O5S
Exact Mass 322.087495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A8H4nbG6isr
Name Dimethyl 4-(Phenylsulfinyl)-(1R*,2R*)-4-cyclohexene-1,2-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O5S
InChI InChI=1S/C16H18O5S/c1-20-15(17)13-9-8-12(10-14(13)16(18)21-2)22(19)11-6-4-3-5-7-11/h3-8,13-14H,9-10H2,1-2H3/t13-,14-,22?/m0/s1
InChIKey FMCFTEDXCWHJHO-LYXHXKSRSA-N
Molecular Weight 322.375 g/mol
SMILES C=1(S(=O)c2ccccc2)C[C@@](C(=O)OC)([H])[C@](CC1)(C(=O)OC)[H]
SPLASH splash10-0akp-3995000000-8da0c97647a396601620
Source of Spectrum QA-47-87-6
Synonyms Dimethyl (1S,2S)-4-(phenylsulfinyl)-4-cyclohexene-1,2-dicarboxylate
Wiley ID 863321