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(1-alpha,2-alpha,3-beta,4-beta)-3,4-Bis-[(E)-(2-methoxycarbonylethenyl)phenyl]-cyclobutane 1,2-dicarboxylic acid dimethyl ester

View entire compound with spectra: 2 MS (GC)

(1-alpha,2-alpha,3-beta,4-beta)-3,4-Bis-[(E)-(2-methoxycarbonylethenyl)phenyl]-cyclobutane 1,2-dicarboxylic acid dimethyl ester
SpectraBase Compound ID BGycWfPkUhp
InChI InChI=1S/C28H28O8/c1-33-21(29)15-13-17-9-5-7-11-19(17)23-24(26(28(32)36-4)25(23)27(31)35-3)20-12-8-6-10-18(20)14-16-22(30)34-2/h5-16,23-26H,1-4H3/b15-13+,16-14+/t23-,24+,25+,26-
InChIKey JMGOOGWYALYRMH-YGJRQRJHSA-N
Mol Weight 492.52 g/mol
Molecular Formula C28H28O8
Exact Mass 492.178418 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7lGUmvgpkwe
Name Dimethyl (1.alpha.,2.alpha.,3.beta.,4.beta.)-3,4-bis[(E)-2-methoxycarbonylethenyl)phenyl]cyclobutane-1,2-dicarboxylate
Alternate Name(s) Dimethyl (1R,2S,3R,4S)-3,4-bis{2-[(1E)-3-methoxy-3-oxo-1-propenyl]phenyl}-1,2-cyclobutanedicarboxylate
CAS Registry Number 115984-40-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H28O8
InChI InChI=1S/C28H28O8/c1-33-21(29)15-13-17-9-5-7-11-19(17)23-24(26(28(32)36-4)25(23)27(31)35-3)20-12-8-6-10-18(20)14-16-22(30)34-2/h5-16,23-26H,1-4H3/b15-13+,16-14+/t23-,24+,25+,26-
InChIKey JMGOOGWYALYRMH-YGJRQRJHSA-N
Molecular Weight 492.524 g/mol
SMILES [C@@]1([C@@](c2c(\C=C\C(=O)OC)cccc2)([H])[C@]([C@]1(C(=O)OC)[H])(C(=O)OC)[H])(c1c(\C=C\C(=O)OC)cccc1)[H]
SPLASH splash10-004r-0900000000-67139c7df058cb7fe887
Source of Spectrum K-121-2143-15
Wiley ID 1397582