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7-Benzyloxy-2,2-dimethyl-4-chromanone

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

7-Benzyloxy-2,2-dimethyl-4-chromanone
SpectraBase Compound ID 4cSo4bL23DR
InChI InChI=1S/C18H18O3/c1-18(2)11-16(19)15-9-8-14(10-17(15)21-18)20-12-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3
InChIKey VDUAWODXQBXTHH-UHFFFAOYSA-N
Mol Weight 282.34 g/mol
Molecular Formula C18H18O3
Exact Mass 282.125594 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 14NeGpm1miq
Name 7-Benzyloxy-2,2-dimethyl-4-chromanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 282.125594437 u
Formula C18H18O3
InChI InChI=1S/C18H18O3/c1-18(2)11-16(19)15-9-8-14(10-17(15)21-18)20-12-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3
InChIKey VDUAWODXQBXTHH-UHFFFAOYSA-N
SMILES C1(OC2=CC(=CC=C2C(C1)=O)OCC1=CC=CC=C1)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.916163