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5,8-Methano-5H-benzocycloheptene-8(9H)-carboxylic acid, 6,7-dihydro-9-oxo-
SpectraBase Compound ID IMELkka8qy2
InChI InChI=1S/C13H12O3/c14-11-10-4-2-1-3-9(10)8-5-6-13(11,7-8)12(15)16/h1-4,8H,5-7H2,(H,15,16)
InChIKey WABMTNQFWRTSQG-UHFFFAOYSA-N
Mol Weight 216.24 g/mol
Molecular Formula C13H12O3
Exact Mass 216.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID xrQd7Hog73
Name 5,8-Methano-5H-benzocycloheptene-8(9H)-carboxylic acid, 6,7-dihydro-9-oxo-
CAS Registry Number 115340-10-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12O3
InChI InChI=1S/C13H12O3/c14-11-10-4-2-1-3-9(10)8-5-6-13(11,7-8)12(15)16/h1-4,8H,5-7H2,(H,15,16)
InChIKey WABMTNQFWRTSQG-UHFFFAOYSA-N
Molecular Weight 216.236 g/mol
SMILES OC(C12C(c3ccccc3C(C2)CC1)=O)=O
SPLASH splash10-0fl3-0900000000-8002a626d7e67dd5674e
Source of Spectrum J-53-4024-11
Synonyms 8-Oxotricyclo[7.2.1.0(2,7)]dodeca-2,4,6-triene-9-carboxylic acid 9-Oxo-6,7,8,9-tetrahydro-5,8-methano-5H-benzocycloheptene-8-carboxylic acid
Wiley ID 1215695