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4-(Phenylmethyl)-3,4-dihydro-2H-naphthalen-1-one

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

4-(Phenylmethyl)-3,4-dihydro-2H-naphthalen-1-one
SpectraBase Compound ID H7Hhp8yW6YX
InChI InChI=1S/C17H16O/c18-17-11-10-14(12-13-6-2-1-3-7-13)15-8-4-5-9-16(15)17/h1-9,14H,10-12H2
InChIKey JJMVSSDNVDLCSV-UHFFFAOYSA-N
Mol Weight 236.31 g/mol
Molecular Formula C17H16O
Exact Mass 236.120115 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Fh34w0yzIQc
Name 4-(Phenylmethyl)-3,4-dihydro-2H-naphthalen-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 236.120115134 u
Formula C17H16O
InChI InChI=1S/C17H16O/c18-17-11-10-14(12-13-6-2-1-3-7-13)15-8-4-5-9-16(15)17/h1-9,14H,10-12H2
InChIKey JJMVSSDNVDLCSV-UHFFFAOYSA-N
Molecular Weight 236.314 g/mol
SMILES C12=C(C(=O)CCC2CC=2C=CC=CC2)C=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.958084