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1,4-Naphthalenedione, 2-methyl-3-(1-methylethenyl)-

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

1,4-Naphthalenedione, 2-methyl-3-(1-methylethenyl)-
SpectraBase Compound ID LGQp0036Hgo
InChI InChI=1S/C14H12O2/c1-8(2)12-9(3)13(15)10-6-4-5-7-11(10)14(12)16/h4-7H,1H2,2-3H3
InChIKey VEBKLFROBXVUFA-UHFFFAOYSA-N
Mol Weight 212.25 g/mol
Molecular Formula C14H12O2
Exact Mass 212.08373 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID D6XgHC3aOZR
Name 1,4-Naphthalenedione, 2-methyl-3-(1-methylethenyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 212.083729624 u
Formula C14H12O2
InChI InChI=1S/C14H12O2/c1-8(2)12-9(3)13(15)10-6-4-5-7-11(10)14(12)16/h4-7H,1H2,2-3H3
InChIKey VEBKLFROBXVUFA-UHFFFAOYSA-N
Molecular Weight 212.248 g/mol
SMILES C1(=C(C(=O)C2=C(C1=O)C=CC=C2)C)C(=C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.92914