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4-Cyclohexene-1,2-dicarboxylic acid, 4-(1-oxo-2-butenyl)-, dimethyl ester, cis-
SpectraBase Compound ID Cf2A1TF4ii6
InChI InChI=1S/C14H18O5/c1-4-5-12(15)9-6-7-10(13(16)18-2)11(8-9)14(17)19-3/h4-6,10-11H,7-8H2,1-3H3/b5-4+/t10-,11+/m1/s1
InChIKey IXNYYJARHNGRSX-ZJRFNNFUSA-N
Mol Weight 266.29 g/mol
Molecular Formula C14H18O5
Exact Mass 266.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CX0cSjJfWgR
Name 4-Cyclohexene-1,2-dicarboxylic acid, 4-(1-oxo-2-butenyl)-, dimethyl ester, cis-
CAS Registry Number 112091-51-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O5
InChI InChI=1S/C14H18O5/c1-4-5-12(15)9-6-7-10(13(16)18-2)11(8-9)14(17)19-3/h4-6,10-11H,7-8H2,1-3H3/b5-4+/t10-,11+/m1/s1
InChIKey IXNYYJARHNGRSX-ZJRFNNFUSA-N
Molecular Weight 266.293 g/mol
SMILES [C@@]1([C@](C(=O)OC)(CC=C(C1)C(\C=C\C)=O)[H])(C(=O)OC)[H]
SPLASH splash10-014j-5790000000-f00f8928ced07ddb76ed
Source of Spectrum AJ-60-330-9
Synonyms cis-1,2-di(methoxycarbonyl)-4-((e-1-propenyl)carbonyl)-4-cyclohexene Dimethyl (1R,2S)-4-[(2E)-2-butenoyl]-4-cyclohexene-1,2-dicarboxylate
Wiley ID 1269874