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4-Isopropoxy-1-phenyl-butan-1-one

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

4-Isopropoxy-1-phenyl-butan-1-one
SpectraBase Compound ID DR4CdQAcnnA
InChI InChI=1S/C13H18O2/c1-11(2)15-10-6-9-13(14)12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3
InChIKey KZWUBESUWAFXTQ-UHFFFAOYSA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3WTbOpRI435
Name 4-Isopropoxy-1-phenyl-butan-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 206.130679818 u
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-11(2)15-10-6-9-13(14)12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3
InChIKey KZWUBESUWAFXTQ-UHFFFAOYSA-N
Molecular Weight 206.285 g/mol
SMILES C(=O)(C=1C=CC=CC1)CCCOC(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.948653