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5,8-Methano-3-methoxy-1H-benzocycloheptane-7-one
SpectraBase Compound ID 7RglrfHkBZ5
InChI InChI=1S/C13H14O2/c1-15-11-3-2-8-4-10-5-9(6-13(10)14)12(8)7-11/h2-3,7,9-10H,4-6H2,1H3
InChIKey AKJRSXQQWBLCKV-UHFFFAOYSA-N
Mol Weight 202.25 g/mol
Molecular Formula C13H14O2
Exact Mass 202.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JyQU90lGw5c
Name 5,8-Methano-3-methoxy-1H-benzocycloheptane-7-one
Alternate Name(s) 4-Methoxytricyclo[7.2.1.0(2,7)]dodeca-2,4,6-trien-10-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O2
InChI InChI=1S/C13H14O2/c1-15-11-3-2-8-4-10-5-9(6-13(10)14)12(8)7-11/h2-3,7,9-10H,4-6H2,1H3
InChIKey AKJRSXQQWBLCKV-UHFFFAOYSA-N
Molecular Weight 202.253 g/mol
SMILES C12c3c(ccc(c3)OC)CC(C1)C(C2)=O
SPLASH splash10-0udi-5940000000-6c0e5511ec98fa9437d5
Source of Spectrum SO-0-465-7
Wiley ID 875356