7-Methyl-1,2,4,5-tetrahydro-3-H-benzocyclohepten-3-one - - Optional[Vapor Phase IR] - Spectrum

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 Google Search
Mol Weight	174.24 g/mol
Molecular Formula	C12H14O
Exact Mass	174.104465 g/mol

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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