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1,4-Epoxy-1H-benzocycloheptene-2,3-dicarboxylic acid, 4,5,6,7,8,9-hexahydro-, dimethyl ester
SpectraBase Compound ID CNhoe9UdESG
InChI InChI=1S/C15H18O5/c1-18-14(16)10-11(15(17)19-2)13-9-7-5-3-4-6-8(9)12(10)20-13/h12-13H,3-7H2,1-2H3
InChIKey QFABKZSNICZXCW-UHFFFAOYSA-N
Mol Weight 278.3 g/mol
Molecular Formula C15H18O5
Exact Mass 278.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IfmmyuJiIfB
Name 1,4-Epoxy-1H-benzocycloheptene-2,3-dicarboxylic acid, 4,5,6,7,8,9-hexahydro-, dimethyl ester
Alternate Name(s) 10-Oxapentacyclo[5.5.0.0(1,11).0(7,9).0(8,12)]dodecan-8,12-dicarbonsaure-dimethylester 10-oxapentacyclo[5.5.0.0(1,11).0(7,9).0(8,12)]dodecan-8,12-dicarboxylic acid, dimethyl ester 12-Oxatricyclo[7.2.1.0(2,8)]dodeca-2(8),10-dien-10,11-dicarbonic acid dimethyl ester dimethyl 12-oxatricyclo[7.2.1.0(2,8)]dodeca-2(8),10-diene-10,11-dicarboxylate
CAS Registry Number 99101-62-9
Comments Less than 3 mono-isotopic peaks
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Formula C15H18O5
InChI InChI=1S/C15H18O5/c1-18-14(16)10-11(15(17)19-2)13-9-7-5-3-4-6-8(9)12(10)20-13/h12-13H,3-7H2,1-2H3
InChIKey QFABKZSNICZXCW-UHFFFAOYSA-N
Molecular Weight 278.304 g/mol
SMILES C1(=C(C2OC1C1=C2CCCCC1)C(=O)OC)C(=O)OC
SPLASH splash10-014i-0090000000-1ecd7c74c48cca265524
Source of Spectrum K-118-3293-0
Wiley ID 1281895