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1,4-Naphthalenedione, 2-phenyl-

View entire compound with spectra: 1 NMR, and 1 FTIR

1,4-Naphthalenedione, 2-phenyl-
SpectraBase Compound ID 9cLjAfNLULW
InChI InChI=1S/C16H10O2/c17-15-10-14(11-6-2-1-3-7-11)16(18)13-9-5-4-8-12(13)15/h1-10H
InChIKey CIDYIYSNDAJNGX-UHFFFAOYSA-N
Mol Weight 234.25 g/mol
Molecular Formula C16H10O2
Exact Mass 234.06808 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Koi5Fx2KR9z
Name 1,4-Naphthalenedione, 2-phenyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.068079560 u
Formula C16H10O2
InChI InChI=1S/C16H10O2/c17-15-10-14(11-6-2-1-3-7-11)16(18)13-9-5-4-8-12(13)15/h1-10H
InChIKey CIDYIYSNDAJNGX-UHFFFAOYSA-N
Molecular Weight 234.254 g/mol
SMILES C12=C(C=CC=C2)C(C(=CC1=O)C1=CC=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.86785