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1,2-Azulenedicarboxylic acid, 3-[3-[2,3-bis(methoxycarbonyl)bicyclo[2.2.1]hepta-2,5-dien-7-ylidene]-1-propenyl]-, dimethyl ester, (E,Z)-
SpectraBase Compound ID Ly1z73oltGF
InChI InChI=1S/C28H24O8/c1-33-25(29)21-17-10-7-5-6-9-15(17)18(22(21)26(30)34-2)12-8-11-16-19-13-14-20(16)24(28(32)36-4)23(19)27(31)35-3/h5-14,19-20H,1-4H3/b12-8+,16-11?
InChIKey IYNVQLMZPCIBOX-VAPBIFBMSA-N
Mol Weight 488.49 g/mol
Molecular Formula C28H24O8
Exact Mass 488.147118 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FTlaztqt01
Name 1,2-Azulenedicarboxylic acid, 3-[3-[2,3-bis(methoxycarbonyl)bicyclo[2.2.1]hepta-2,5-dien-7-ylidene]-1-propenyl]-, dimethyl ester, (E,Z)-
CAS Registry Number 92208-41-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H24O8
InChI InChI=1S/C28H24O8/c1-33-25(29)21-17-10-7-5-6-9-15(17)18(22(21)26(30)34-2)12-8-11-16-19-13-14-20(16)24(28(32)36-4)23(19)27(31)35-3/h5-14,19-20H,1-4H3/b12-8+,16-11?
InChIKey IYNVQLMZPCIBOX-VAPBIFBMSA-N
Molecular Weight 488.492 g/mol
SMILES c1(c(c(\C=C\C=C2C3C(C(=O)OC)=C(C2C=C3)C(=O)OC)c2c1ccccc2)C(=O)OC)C(=O)OC
SPLASH splash10-0ac4-0211900000-194ecacc740339a28194
Source of Spectrum K-117-2040-1
Synonyms Dimethyl 3-{(1E)-3-[2,3-bis(methoxycarbonyl)bicyclo[2.2.1]hepta-2,5-dien-7-ylidene]-1-propenyl}-1,2-azulenedicarboxylate Dimethyl ester of 1-[3-[2,3-bis(methoxycarbonyl)bicyclo[2.2.1]hepta-2,5-dien-7-lidene]-1-propenyl]-2,3-azulenedicarboxylic acid
Wiley ID 1396893