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1,4-Epoxybenzocyclooctene-2,3-dicarboxylic acid, 1,4,5,6,7,8,9,10-octahydro-, dimethyl ester
SpectraBase Compound ID LISqrhvkmyF
InChI InChI=1S/C16H20O5/c1-19-15(17)11-12(16(18)20-2)14-10-8-6-4-3-5-7-9(10)13(11)21-14/h13-14H,3-8H2,1-2H3
InChIKey VAEXKDZZVQDQPV-UHFFFAOYSA-N
Mol Weight 292.33 g/mol
Molecular Formula C16H20O5
Exact Mass 292.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7KerGvRtkoe
Name 1,4-Epoxybenzocyclooctene-2,3-dicarboxylic acid, 1,4,5,6,7,8,9,10-octahydro-, dimethyl ester
Alternate Name(s) 11-Oxapentacyclo[6.5.0.0(1,12).0(8,10).0(9,13)]tridecan-9,13-dicarbonsaure-dimethylester dimethyl 13-oxatricyclo[8.2.1.0(2,9)]trideca-2(9),11-diene-11,12-dicarboxylate
CAS Registry Number 99081-95-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O5
InChI InChI=1S/C16H20O5/c1-19-15(17)11-12(16(18)20-2)14-10-8-6-4-3-5-7-9(10)13(11)21-14/h13-14H,3-8H2,1-2H3
InChIKey VAEXKDZZVQDQPV-UHFFFAOYSA-N
Molecular Weight 292.331 g/mol
SMILES C1(=C(C2OC1C1=C2CCCCCC1)C(=O)OC)C(=O)OC
SPLASH splash10-001i-0090000000-66804c4fe8148fb517c5
Source of Spectrum K-118-3294-0
Wiley ID 1295399