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2'-Hydroxy-4'-methoxyacetophenone, butyl ether

View entire compound with spectra: 1 NMR, and 1 FTIR

2'-Hydroxy-4'-methoxyacetophenone, butyl ether
SpectraBase Compound ID 6YDvVaxl3jq
InChI InChI=1S/C13H18O3/c1-4-5-8-16-13-9-11(15-3)6-7-12(13)10(2)14/h6-7,9H,4-5,8H2,1-3H3
InChIKey PHXKNFGHYDNWNB-UHFFFAOYSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 36bAcjrsEoV
Name 2'-Hydroxy-4'-methoxyacetophenone, butyl ether
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.125594437 u
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-4-5-8-16-13-9-11(15-3)6-7-12(13)10(2)14/h6-7,9H,4-5,8H2,1-3H3
InChIKey PHXKNFGHYDNWNB-UHFFFAOYSA-N
Molecular Weight 222.284 g/mol
SMILES C1(=C(C=C(C=C1)OC)OCCCC)C(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.976676