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1-Cyclohexene-1,4-dicarboxylic acid, 4-[4-[(methylsulfonyl)oxy]-1-butenyl]-3-[2-[(methylsulfonyl)oxy]ethyl]-, dimethyl ester, [3.alpha.,4.beta.,4(E)]-
SpectraBase Compound ID QUl4EzoavG
InChI InChI=1S/C18H28O10S2/c1-25-16(19)14-7-10-18(17(20)26-2,9-5-6-11-27-29(3,21)22)15(13-14)8-12-28-30(4,23)24/h5,9,13,15H,6-8,10-12H2,1-4H3/b9-5+/t15-,18-/m0/s1
InChIKey IVPKIHKWFPGDQR-YGDCARBESA-N
Mol Weight 468.53 g/mol
Molecular Formula C18H28O10S2
Exact Mass 468.112389 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9zMmDGgXBj0
Name 1-Cyclohexene-1,4-dicarboxylic acid, 4-[4-[(methylsulfonyl)oxy]-1-butenyl]-3-[2-[(methylsulfonyl)oxy]ethyl]-, dimethyl ester, [3.alpha.,4.beta.,4(E)]-
Alternate Name(s) Dimethyl (3S,4R)-4-{(1E)-4-[(methylsulfonyl)oxy]-1-butenyl}-3-{2-[(methylsulfonyl)oxy]ethyl}-1-cyclohexene-1,4-dicarboxylate Dimethyl 4-[4-[(methylsulfonyl)oxy]-1-butenyl]-3-[2-[(methylsulfonyl)oxy]ethyl]-1-cyclohexene-1,4-dicarboxylate
CAS Registry Number 115266-67-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H28O10S2
InChI InChI=1S/C18H28O10S2/c1-25-16(19)14-7-10-18(17(20)26-2,9-5-6-11-27-29(3,21)22)15(13-14)8-12-28-30(4,23)24/h5,9,13,15H,6-8,10-12H2,1-4H3/b9-5+/t15-,18-/m0/s1
InChIKey IVPKIHKWFPGDQR-YGDCARBESA-N
Molecular Weight 468.532 g/mol
SMILES C(OS(=O)(=O)C)C[C@@]1([C@@](C(=O)OC)(CCC(=C1)C(=O)OC)\C=C\CCOS(=O)(=O)C)[H]
SPLASH splash10-0019-5923000000-d8d199fab00dbfaa2477
Source of Spectrum J-53-3709-6
Wiley ID 1392275