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4-Cyclohexene-1,2-dicarboxylic acid, 4-(1-oxo-2-butenyl)-, dimethyl ester, trans-
SpectraBase Compound ID GTwGaUTZ7Ba
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-XKFHPXPTSA-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 1eZayLPP5qI
Name 4-Cyclohexene-1,2-dicarboxylic acid, 4-(1-oxo-2-butenyl)-, dimethyl ester, trans-
CAS Registry Number 112091-54-0
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-XKFHPXPTSA-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 splash10-016s-9200000000-b44d6d4380fdd2ad8238
Source of Spectrum AJ-60-331-10
Synonyms Dimethyl (1R,2R)-4-[(2E)-2-butenoyl]-4-cyclohexene-1,2-dicarboxylate trans-1,2-di(methoxycarbonyl)-4-(e-propenylcarbonyl)-4-cyclohexene
Wiley ID 1269875