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7-(Isopropoxy)-2,2,5-trimethyl-4-chromanone

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

7-(Isopropoxy)-2,2,5-trimethyl-4-chromanone
SpectraBase Compound ID H548DmPQQ3a
InChI InChI=1S/C15H20O3/c1-9(2)17-11-6-10(3)14-12(16)8-15(4,5)18-13(14)7-11/h6-7,9H,8H2,1-5H3
InChIKey JJKKCNFCFIXHLO-UHFFFAOYSA-N
Mol Weight 248.32 g/mol
Molecular Formula C15H20O3
Exact Mass 248.141245 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JcLnTqTxP1F
Name 7-(Isopropoxy)-2,2,5-trimethyl-4-chromanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 248.141244501 u
Formula C15H20O3
InChI InChI=1S/C15H20O3/c1-9(2)17-11-6-10(3)14-12(16)8-15(4,5)18-13(14)7-11/h6-7,9H,8H2,1-5H3
InChIKey JJKKCNFCFIXHLO-UHFFFAOYSA-N
Molecular Weight 248.322 g/mol
SMILES C1(CC(C=2C(=CC(=CC2O1)OC(C)C)C)=O)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.865031