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1-(2-acetyl-1-methoxy-2H-naphthalen-1-yl)-2-propanone

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

1-(2-acetyl-1-methoxy-2H-naphthalen-1-yl)-2-propanone
SpectraBase Compound ID 4JenBTKnY3i
InChI InChI=1S/C16H18O3/c1-11(17)10-16(19-3)14(12(2)18)9-8-13-6-4-5-7-15(13)16/h4-9,14H,10H2,1-3H3
InChIKey XTOUQTUPMAYRSG-UHFFFAOYSA-N
Mol Weight 258.32 g/mol
Molecular Formula C16H18O3
Exact Mass 258.125594 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID bDktLTWoaG
Name 1-(2-Acetyl-1-methoxy-2H-naphthalen-1-yl)-2-propanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 258.125594437 u
Formula C16H18O3
InChI InChI=1S/C16H18O3/c1-11(17)10-16(19-3)14(12(2)18)9-8-13-6-4-5-7-15(13)16/h4-9,14H,10H2,1-3H3
InChIKey XTOUQTUPMAYRSG-UHFFFAOYSA-N
Molecular Weight 258.317 g/mol
SMILES C1(C(C=CC=2C1=CC=CC2)C(=O)C)(CC(=O)C)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.946579