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10-Oxabicyclo[6.3.2]trideca-1(11),8,12-triene-12,13-dicarboxylic acid, dimethyl ester
SpectraBase Compound ID IPcKxbHJMoF
InChI InChI=1S/C16H20O5/c1-19-15(17)13-11-7-5-3-4-6-8-12(10-21-9-11)14(13)16(18)20-2/h9-10H,3-8H2,1-2H3
InChIKey WAHYUZDDLAIVES-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 DNCbNRgFP8r
Name 10-Oxabicyclo[6.3.2]trideca-1(11),8,12-triene-12,13-dicarboxylic acid, dimethyl ester
Alternate Name(s) 10-Oxabicyclo[6.3.2]trideca-1(11),8,12-trien-12,13-dicarbonsaure-dimethylester (3,6-hexano-4,5-oxepindicarbonsaure-dimethylester) dimethyl 10-oxabicyclo[6.3.2]trideca-1(11),8,12-triene-12,13-dicarboxylate
CAS Registry Number 99082-00-5
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)13-11-7-5-3-4-6-8-12(10-21-9-11)14(13)16(18)20-2/h9-10H,3-8H2,1-2H3
InChIKey WAHYUZDDLAIVES-UHFFFAOYSA-N
Molecular Weight 292.331 g/mol
SMILES C1(=C(C(=O)OC)C2=COC=C1CCCCCC2)C(=O)OC
SPLASH splash10-001i-0090000000-13d4054757ff2921d59c
Source of Spectrum K-118-4159-1
Wiley ID 1295398