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3-Thiabicyclo[3.2.0]heptane-6,7-dicarboxylic acid, 1,6-dimethyl-, dimethyl ester, 3,3-dioxide, (1.alpha.,5.alpha.,6.alpha.,7.beta.)-(.+-.)-
SpectraBase Compound ID 9mKzD19pwIS
InChI InChI=1S/C12H18O6S/c1-11-6-19(15,16)5-7(11)12(2,10(14)18-4)8(11)9(13)17-3/h7-8H,5-6H2,1-4H3/t7-,8+,11+,12+/m1/s1
InChIKey YNHWGDVYVRETBO-ULCXWNMLSA-N
Mol Weight 290.33 g/mol
Molecular Formula C12H18O6S
Exact Mass 290.082409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3zDZjN0jbsG
Name 3-Thiabicyclo[3.2.0]heptane-6,7-dicarboxylic acid, 1,6-dimethyl-, dimethyl ester, 3,3-dioxide, (1.alpha.,5.alpha.,6.alpha.,7.beta.)-(.+-.)-
CAS Registry Number 99685-40-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O6S
InChI InChI=1S/C12H18O6S/c1-11-6-19(15,16)5-7(11)12(2,10(14)18-4)8(11)9(13)17-3/h7-8H,5-6H2,1-4H3/t7-,8+,11+,12+/m1/s1
InChIKey YNHWGDVYVRETBO-ULCXWNMLSA-N
Molecular Weight 290.330 g/mol
SMILES [C@@]12([C@](C(=O)OC)([C@]([C@@]2(CS(C1)(=O)=O)[H])(C(=O)OC)C)[H])C
SPLASH splash10-08fr-0900000000-bdbeb64b806a2ae0f033
Source of Spectrum J-50-5821-28
Synonyms Dimethyl (1R,5S,6R,7R)-1,6-dimethyl-3-thiabicyclo[3.2.0]heptane-6,7-dicarboxylate 3,3-dioxide trans-1,6-dimethyl-3,3-dioxo-3-thiabicyclo[3.2.0]heptane-6,7-dicarboxylic acid dimethyl ester
Wiley ID 1293129