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7-Methyl-1,2,4,5-tetrahydro-3-H-benzocyclohepten-3-one -

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

7-Methyl-1,2,4,5-tetrahydro-3-H-benzocyclohepten-3-one -
SpectraBase Compound ID Jlil4lBlexQ
InChI InChI=1S/C12H14O/c1-9-2-3-10-4-6-12(13)7-5-11(10)8-9/h2-3,8H,4-7H2,1H3
InChIKey SUZBINQBXNUFGI-UHFFFAOYSA-N
Mol Weight 174.24 g/mol
Molecular Formula C12H14O
Exact Mass 174.104465 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ECbeUoq6pX7
Name 7-Methyl-1,2,4,5-tetrahydro-3-H-benzocyclohepten-3-one -
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 174.104465070 u
Formula C12H14O
InChI InChI=1S/C12H14O/c1-9-2-3-10-4-6-12(13)7-5-11(10)8-9/h2-3,8H,4-7H2,1H3
InChIKey SUZBINQBXNUFGI-UHFFFAOYSA-N
Molecular Weight 174.243 g/mol
SMILES C=12C(CCC(CC2)=O)=CC=C(C1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.942164