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1,1-Dimethyl-4-phenyl-3-propylnaphthalen-2(1H)-one

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

1,1-Dimethyl-4-phenyl-3-propylnaphthalen-2(1H)-one
SpectraBase Compound ID 7CcbYjjmYER
InChI InChI=1S/C21H22O/c1-4-10-17-19(15-11-6-5-7-12-15)16-13-8-9-14-18(16)21(2,3)20(17)22/h5-9,11-14H,4,10H2,1-3H3
InChIKey DSZSXRVVSWGKCM-UHFFFAOYSA-N
Mol Weight 290.41 g/mol
Molecular Formula C21H22O
Exact Mass 290.167065 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GLhSDN5wHrZ
Name 1,1-Dimethyl-4-phenyl-3-propylnaphthalen-2(1H)-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 290.167065327 u
Formula C21H22O
InChI InChI=1S/C21H22O/c1-4-10-17-19(15-11-6-5-7-12-15)16-13-8-9-14-18(16)21(2,3)20(17)22/h5-9,11-14H,4,10H2,1-3H3
InChIKey DSZSXRVVSWGKCM-UHFFFAOYSA-N
SMILES C1(C(C(=C(C=2C=CC=CC12)C=1C=CC=CC1)CCC)=O)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.957619