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3-(1-Naphthylmethyl)-2,4-pentanedione

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

3-(1-Naphthylmethyl)-2,4-pentanedione
SpectraBase Compound ID 6emS19fFu16
InChI InChI=1S/C16H16O2/c1-11(17)16(12(2)18)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,16H,10H2,1-2H3
InChIKey ZDWBAYDGKZERHE-UHFFFAOYSA-N
Mol Weight 240.3 g/mol
Molecular Formula C16H16O2
Exact Mass 240.11503 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9OsniAthL8V
Name 3-(1-Naphthylmethyl)-2,4-pentanedione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 240.115029753 u
Formula C16H16O2
InChI InChI=1S/C16H16O2/c1-11(17)16(12(2)18)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,16H,10H2,1-2H3
InChIKey ZDWBAYDGKZERHE-UHFFFAOYSA-N
Molecular Weight 240.302 g/mol
SMILES CC(C(C(C)=O)CC=1C=CC=C2C=CC=CC12)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.860427