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1,4-Methanonaphthalene-6-carboxylic acid, 1,2,3,4,5,8-hexahydro-, methyl ester
SpectraBase Compound ID BCRqg6wZvWM
InChI InChI=1S/C13H16O2/c1-15-13(14)10-4-5-11-8-2-3-9(6-8)12(11)7-10/h4,8-9H,2-3,5-7H2,1H3
InChIKey VNGFUDOAQLNDDI-UHFFFAOYSA-N
Mol Weight 204.27 g/mol
Molecular Formula C13H16O2
Exact Mass 204.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cgp6T3oRooW
Name 1,4-Methanonaphthalene-6-carboxylic acid, 1,2,3,4,5,8-hexahydro-, methyl ester
Alternate Name(s) Methyl tricyclo[6.2.1.0(2,7)]undeca-2(7),4-diene-4-carboxylate
CAS Registry Number 82960-09-6
Comments Removed - expert review: contamination (air); A corrected record has been addded having SpectrumID: 1820822
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O2
InChI InChI=1S/C13H16O2/c1-15-13(14)10-4-5-11-8-2-3-9(6-8)12(11)7-10/h4,8-9H,2-3,5-7H2,1H3
InChIKey VNGFUDOAQLNDDI-UHFFFAOYSA-N
Molecular Weight 204.269 g/mol
SMILES C12=C(C3CC2CC3)CC=C(C1)C(=O)OC
SPLASH splash10-0059-9100000000-ef34594f20b9eea9e1f4
Source of Spectrum H-65-199-0
Wiley ID 1202044