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Cyclohexene-4,5-dicarboxylic acid, 1-[4,5-bis(ethoxycarbonyl)-2-methylene-1-pentyl]-
SpectraBase Compound ID 9RmVgg6kAt7
InChI InChI=1S/C24H36O8/c1-6-29-21(25)15-18(22(26)30-7-2)13-16(5)12-17-10-11-19(23(27)31-8-3)20(14-17)24(28)32-9-4/h10,18-20H,5-9,11-15H2,1-4H3
InChIKey XATZNBKSBBFUJO-UHFFFAOYSA-N
Mol Weight 452.5 g/mol
Molecular Formula C24H36O8
Exact Mass 452.241018 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID aOHBWAESTj
Name Cyclohexene-4,5-dicarboxylic acid, 1-[4,5-bis(ethoxycarbonyl)-2-methylene-1-pentyl]-
CAS Registry Number 80137-90-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H36O8
InChI InChI=1S/C24H36O8/c1-6-29-21(25)15-18(22(26)30-7-2)13-16(5)12-17-10-11-19(23(27)31-8-3)20(14-17)24(28)32-9-4/h10,18-20H,5-9,11-15H2,1-4H3
InChIKey XATZNBKSBBFUJO-UHFFFAOYSA-N
Molecular Weight 452.544 g/mol
SMILES C(=O)(C(CC(OCC)=O)CC(=C)CC1=CCC(C(C1)C(=O)OCC)C(=O)OCC)OCC
SPLASH splash10-005l-6952000000-ff98922036f4ba6488f0
Source of Spectrum CM-1999-32719-0
Synonyms Cyclohexene-4,5-dicarboxylic acid, 1-[4,5-bis(ethoxycarbonyl)-2-methylene-1-pentyl]-, (E) Cyclohexen-4,5-dicarbonsaeure, 1-[4,5-bis(ethoxycarbonyl)-2-methylen-1-pentyl]-, 4-(6-Ethoxy-4-ethoxycarbonyl-2-methylene-6-oxohexyl)cyclohex-4-ene-1,2-dicarboxylic acid diethyl ester 4-[2-(2-carbethoxy-4-ethoxy-4-keto-butyl)allyl]cyclohex-4-ene-1,2-dicarboxylic acid diethyl ester Cyclohexene-4,5-dicarboxylic acid, 1-[4,5-bis(ethoxycarbonyl)-2-methylene-1-pentyl]-, trans- Diethyl 4-(2-[4-ethoxy-2-(ethoxycarbonyl)-4-oxobutyl]-2-propenyl)-4-cyclohexene-1,2-dicarboxylate Diethyl 4-(6-ethoxy-4-ethoxycarbonyl-2-methylene-6-oxo-hexyl)cyclohex-4-ene-1,2-dicarboxylate Diethyl 4-(6-ethoxy-4-ethoxycarbonyl-2-methylidene-6-oxohexyl)cyclohex-4-ene-1,2-dicarboxylate Diethyl 4-(6-ethoxy-4-ethoxycarbonyl-2-methylidene-6-oxidanylidene-hexyl)cyclohex-4-ene-1,2-dicarboxylate
Wiley ID 495073