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bicyclo[2.2.2]oct-5-ene-2,3-dicarboxylic acid dimethyl ester
SpectraBase Compound ID 4wRaSqY5gRF
InChI InChI=1S/C12H16O4/c1-15-11(13)9-7-3-5-8(6-4-7)10(9)12(14)16-2/h3,5,7-10H,4,6H2,1-2H3/t7-,8+,9+,10?/m1/s1
InChIKey FPRGHVZMTXXTRC-RFAQLEPDSA-N
Mol Weight 224.26 g/mol
Molecular Formula C12H16O4
Exact Mass 224.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FoJdkc0dcvv
Name bicyclo[2.2.2]oct-5-ene-2,3-dicarboxylic acid dimethyl ester
Alternate Name(s) Dimethyl bicyclo[2.2.2]oct-5-ene-2,3-dicarboxylate
CAS Registry Number 4545-84-0
Comments Less than 3 mono-isotopic peaks
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Formula C12H16O4
InChI InChI=1S/C12H16O4/c1-15-11(13)9-7-3-5-8(6-4-7)10(9)12(14)16-2/h3,5,7-10H,4,6H2,1-2H3/t7-,8+,9+,10?/m1/s1
InChIKey FPRGHVZMTXXTRC-RFAQLEPDSA-N
Molecular Weight 224.256 g/mol
SMILES COC(=O)C1[C@@](C(OC)=O)([C@@]2(C=C[C@]1(CC2)[H])[H])[H]
SPLASH splash10-0002-0900000000-40be940300194911ebf7
Source of Spectrum O-24-39-0
Wiley ID 1225019