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7-Methoxy-2,2,5-trimethyl-4-chromanone

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 MS (GC)

7-Methoxy-2,2,5-trimethyl-4-chromanone
SpectraBase Compound ID FAB8CzEXvSR
InChI InChI=1S/C13H16O3/c1-8-5-9(15-4)6-11-12(8)10(14)7-13(2,3)16-11/h5-6H,7H2,1-4H3
InChIKey DKAJWSZLQFXXCJ-UHFFFAOYSA-N
Mol Weight 220.27 g/mol
Molecular Formula C13H16O3
Exact Mass 220.109944 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9rastEFRI6m
Name 7-Methoxy-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 220.109944372 u
Formula C13H16O3
InChI InChI=1S/C13H16O3/c1-8-5-9(15-4)6-11-12(8)10(14)7-13(2,3)16-11/h5-6H,7H2,1-4H3
InChIKey DKAJWSZLQFXXCJ-UHFFFAOYSA-N
Molecular Weight 220.268 g/mol
SMILES COC1=CC=2OC(C)(C)CC(=O)C2C(C)=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.912697