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4-Cyclohexene-1,2-dicarboxylic acid, 4-(2-methyl-2-propenyl)-, diethyl ester, trans-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-Cyclohexene-1,2-dicarboxylic acid, 4-(2-methyl-2-propenyl)-, diethyl ester, trans-
SpectraBase Compound ID I0sDvrgOwXq
InChI InChI=1S/C13H20O2.C3H6O2/c1-4-15-13(14)12-7-5-11(6-8-12)9-10(2)3;1-2-5-3-4/h5,12H,2,4,6-9H2,1,3H3;3H,2H2,1H3
InChIKey BYYSLASUZPEKJD-UHFFFAOYSA-N
Mol Weight 282.38 g/mol
Molecular Formula C16H26O4
Exact Mass 282.183109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID V0LyJaXrRS
Name 4-Cyclohexene-1,2-dicarboxylic acid, 4-(2-methyl-2-propenyl)-, diethyl ester, trans-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 282.183109313 u
Formula C16H26O4
InChI InChI=1S/C13H20O2.C3H6O2/c1-4-15-13(14)12-7-5-11(6-8-12)9-10(2)3;1-2-5-3-4/h5,12H,2,4,6-9H2,1,3H3;3H,2H2,1H3
InChIKey BYYSLASUZPEKJD-UHFFFAOYSA-N
Molecular Weight 282.380 g/mol
Nominal Mass 282 u
SMILES C(=O)OCC.C=C(C)CC1=CCC(CC1)C(=O)OCC