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XWDUDOATCIJESK-XFXZXTDPSA-N
SpectraBase Compound ID HWPcS1eA8KS
InChI InChI=1S/C14H20O4/c1-10(11-7-5-4-6-8-11)12(14(16)18-3)9-13(15)17-2/h7,9-10H,4-6,8H2,1-3H3/b12-9-
InChIKey XWDUDOATCIJESK-XFXZXTDPSA-N
Mol Weight 252.31 g/mol
Molecular Formula C14H20O4
Exact Mass 252.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 17znsYXRbjC
Name 2-Butenedioic acid, 2-[1-(1-cyclohexen-1-yl)ethyl]-, dimethyl ester, (Z)-
Alternate Name(s) dimethyl (2Z)-2-[1-(1-cyclohexen-1-yl)ethyl]-2-butenedioate Dimethyl 2-((cyclohexen-1-yl)ethyl)but-2-ene-1,4-dicarboxylic acid
CAS Registry Number 72163-15-6
Comments Less than 3 mono-isotopic peaks
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Formula C14H20O4
InChI InChI=1S/C14H20O4/c1-10(11-7-5-4-6-8-11)12(14(16)18-3)9-13(15)17-2/h7,9-10H,4-6,8H2,1-3H3/b12-9-
InChIKey XWDUDOATCIJESK-XFXZXTDPSA-N
Molecular Weight 252.310 g/mol
SMILES C(\C=C/(C(=O)OC)C(C1=CCCCC1)C)(=O)OC
SPLASH splash10-001i-0900000000-332965b9367ad4bb74dd
Source of Spectrum I-59-298-0
Wiley ID 1255547