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4-Cyclohexene-1,2-dicarboxylic acid, 4-(1-oxo-2-propenyl)-, dimethyl ester, cis-
SpectraBase Compound ID 7LBHsOqIfok
InChI InChI=1S/C13H16O5/c1-4-11(14)8-5-6-9(12(15)17-2)10(7-8)13(16)18-3/h4-5,9-10H,1,6-7H2,2-3H3/t9-,10+/m1/s1
InChIKey MFKLHWNYBKUURK-ZJUUUORDSA-N
Mol Weight 252.27 g/mol
Molecular Formula C13H16O5
Exact Mass 252.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HNKgQ43X6pf
Name 4-Cyclohexene-1,2-dicarboxylic acid, 4-(1-oxo-2-propenyl)-, dimethyl ester, cis-
Alternate Name(s) cis-1,2-di(methoxycarbonyl)-4-(ethenylcarbonyl)-4-cyclohexene Dimethyl (1R,2S)-4-acryloyl-4-cyclohexene-1,2-dicarboxylate
CAS Registry Number 112091-79-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O5
InChI InChI=1S/C13H16O5/c1-4-11(14)8-5-6-9(12(15)17-2)10(7-8)13(16)18-3/h4-5,9-10H,1,6-7H2,2-3H3/t9-,10+/m1/s1
InChIKey MFKLHWNYBKUURK-ZJUUUORDSA-N
Molecular Weight 252.266 g/mol
SMILES [C@@]1([C@](C(=O)OC)(CC=C(C1)C(C=C)=O)[H])(C(=O)OC)[H]
SPLASH splash10-001i-1930000000-4b675cb9cfe910e01d87
Source of Spectrum AJ-60-329-9
Wiley ID 1255370