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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 GGYQLzmJhuj
Name (1-alpha,2-alpha,3-beta,4-beta)-3,4-Bis-[(E)-(2-methoxycarbonylethenyl)phenyl]-cyclobutane 1,2-dicarboxylic acid dimethyl ester
Alternate Name(s) Dimethyl (1R,2S,3R,4S)-3,4-bis(2-((E)-3-methoxy-3-oxoprop-1-en-1-yl)phenyl)cyclobutane-1,2-dicarboxylate
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
Literature Reference DOI 10.1002/cber.19881211211
Molecular Weight 492.524 g/mol
SMILES [C@]1([C@](C(OC)=O)([C@](C(=O)OC)([C@]1(c1ccccc1\C=C\C(OC)=O)[H])[H])[H])(c1c(cccc1)\C=C\C(OC)=O)[H]
SPLASH splash10-000i-0900000000-cdf39c1a4ceaf4966fd4
Source of Spectrum K-121-2143-15
Wiley ID 1794552