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[6](1,3)-Naphthalenone

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[6](1,3)-Naphthalenone
SpectraBase Compound ID GGpNLYKEsGw
InChI InChI=1S/C16H18O/c17-16-13-8-4-2-1-3-7-12(11-13)14-9-5-6-10-15(14)16/h5-6,9-11,13H,1-4,7-8H2
InChIKey DNMTYGHSHGZEBO-UHFFFAOYSA-N
Mol Weight 226.32 g/mol
Molecular Formula C16H18O
Exact Mass 226.135765 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4yARCptHoTy
Name [6](1,3)-Naphthalenone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 226.135765199 u
Formula C16H18O
InChI InChI=1S/C16H18O/c17-16-13-8-4-2-1-3-7-12(11-13)14-9-5-6-10-15(14)16/h5-6,9-11,13H,1-4,7-8H2
InChIKey DNMTYGHSHGZEBO-UHFFFAOYSA-N
Molecular Weight 226.319 g/mol
SMILES C12=CC(CCCCCC2)C(C2=C1C=CC=C2)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.848024