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CYCLOHEXEN-4,5-DICARBOXYLIC ACID, 1-[4,5-BIS(ETHOXYCARBONYL)-2-METHYLEN-1-PENTYL]-, trans
SpectraBase Compound ID IkO5xPy2KmS
InChI InChI=1S/C21H32O6.C3H6O2/c1-5-25-19(22)14-18(21(24)27-7-3)13-15(4)12-16-8-10-17(11-9-16)20(23)26-6-2;1-2-5-3-4/h8,17-18H,4-7,9-14H2,1-3H3;3H,2H2,1H3
InChIKey BTYSZMYNNNYMBM-UHFFFAOYSA-N
Mol Weight 454.6 g/mol
Molecular Formula C24H38O8
Exact Mass 454.256668 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8qzzRw9Ihwa
Name CYCLOHEXEN-4,5-DICARBOXYLIC ACID, 1-[4,5-BIS(ETHOXYCARBONYL)-2-METHYLEN-1-PENTYL]-, trans
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C24H36O8
InChI InChI=1S/C21H32O6.C3H6O2/c1-5-25-19(22)14-18(21(24)27-7-3)13-15(4)12-16-8-10-17(11-9-16)20(23)26-6-2;1-2-5-3-4/h8,17-18H,4-7,9-14H2,1-3H3;3H,2H2,1H3
InChIKey BTYSZMYNNNYMBM-UHFFFAOYSA-N
Instrument Name CH7
Molecular Weight 454.2556
SMILES C(OCC)=O.C(=O)(CC(CC(CC=1CCC(C(OCC)=O)CC1)=C)C(OCC)=O)OCC
SPLASH splash10-005l-6952000000-ff98922036f4ba6488f0
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany