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3-Methoxy-5,7,8,9-tetrahydrobenzocyclohepten-6-one

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

3-Methoxy-5,7,8,9-tetrahydrobenzocyclohepten-6-one
SpectraBase Compound ID KTJBExgXDM1
InChI InChI=1S/C12H14O2/c1-14-12-6-5-9-3-2-4-11(13)7-10(9)8-12/h5-6,8H,2-4,7H2,1H3
InChIKey ZWBQKDCWKNWSRU-UHFFFAOYSA-N
Mol Weight 190.24 g/mol
Molecular Formula C12H14O2
Exact Mass 190.09938 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 71uCmmPLRXd
Name 3-Methoxy-5,7,8,9-tetrahydrobenzocyclohepten-6-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 190.099379689 u
Formula C12H14O2
InChI InChI=1S/C12H14O2/c1-14-12-6-5-9-3-2-4-11(13)7-10(9)8-12/h5-6,8H,2-4,7H2,1H3
InChIKey ZWBQKDCWKNWSRU-UHFFFAOYSA-N
Molecular Weight 190.242 g/mol
SMILES C=12CC(=O)CCCC2=CC=C(C1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.969554