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2-Benzyl-3-methyl-1,4-naphthoquinone

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

2-Benzyl-3-methyl-1,4-naphthoquinone
SpectraBase Compound ID Cd3CIUAYNz8
InChI InChI=1S/C18H14O2/c1-12-16(11-13-7-3-2-4-8-13)18(20)15-10-6-5-9-14(15)17(12)19/h2-10H,11H2,1H3
InChIKey ZBVWBAAUURREBF-UHFFFAOYSA-N
Mol Weight 262.31 g/mol
Molecular Formula C18H14O2
Exact Mass 262.09938 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ES3woVAQXvY
Name 2-Benzyl-3-methyl-1,4-naphthoquinone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 262.099379689 u
Formula C18H14O2
InChI InChI=1S/C18H14O2/c1-12-16(11-13-7-3-2-4-8-13)18(20)15-10-6-5-9-14(15)17(12)19/h2-10H,11H2,1H3
InChIKey ZBVWBAAUURREBF-UHFFFAOYSA-N
Molecular Weight 262.308 g/mol
SMILES C1(=C(C(=O)C2=C(C1=O)C=CC=C2)C)CC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.913578