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1,4-Epoxy-1H-benzocycloheptene-1-carboxylic acid, 4,6,7,8-tetrahydro-, methyl ester
SpectraBase Compound ID EXncJ0YC2fe
InChI InChI=1S/C13H14O3/c1-15-12(14)13-8-7-11(16-13)9-5-3-2-4-6-10(9)13/h5-8,11H,2-4H2,1H3
InChIKey JDSXDLXLSMKIRD-UHFFFAOYSA-N
Mol Weight 218.25 g/mol
Molecular Formula C13H14O3
Exact Mass 218.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6DND0mKyxuo
Name 1,4-Epoxy-1H-benzocycloheptene-1-carboxylic acid, 4,6,7,8-tetrahydro-, methyl ester
CAS Registry Number 86661-58-7
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O3
InChI InChI=1S/C13H14O3/c1-15-12(14)13-8-7-11(16-13)9-5-3-2-4-6-10(9)13/h5-8,11H,2-4H2,1H3
InChIKey JDSXDLXLSMKIRD-UHFFFAOYSA-N
Molecular Weight 218.252 g/mol
SMILES C12(C=3C(=CCCCC3)C(O1)C=C2)C(=O)OC
SPLASH splash10-001i-1900000000-27ca581b177cda585fa2
Source of Spectrum K-116-2302-0
Synonyms Methyl 12-oxatricyclo[7.2.1.0(2,8)]dodeca-2,7,10-triene-1-carboxylate Methylester of 12-oxatricyclo[7.2.1.0(2,8)]dodeca-2,7,10-trien-1-carbonoic acid
Wiley ID 1217716