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trans-2-cyclohexene-1,4-dicarboxylic acid diethyl ester
SpectraBase Compound ID 1kljQPikNPS
InChI InChI=1S/C12H18O4/c1-3-15-11(13)9-5-7-10(8-6-9)12(14)16-4-2/h5,7,9-10H,3-4,6,8H2,1-2H3/t9-,10-/m0/s1
InChIKey BTWSYUCQZKSRNW-UWVGGRQHSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1CPe3QDQwq
Name trans-2-cyclohexene-1,4-dicarboxylic acid diethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 226.120509056 u
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-3-15-11(13)9-5-7-10(8-6-9)12(14)16-4-2/h5,7,9-10H,3-4,6,8H2,1-2H3/t9-,10-/m0/s1
InChIKey BTWSYUCQZKSRNW-UWVGGRQHSA-N
Instrument Name Agilent 7890A/5975C
Ionization Type EI
Literature Reference DOI 10.1002/anie.201509149
Molecular Weight 226.272 g/mol
Quality 571
SMILES [C@]1(C=C[C@@](CC1)(C(OCC)=O)[H])(C(OCC)=O)[H]
SPLASH splash10-003r-7900000000-058d61cc12f646f9b8b9
Source of Spectrum ACI-55-SM10-4 (DOI: 10.1002/anie.201509149)
Wiley ID 1895123