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4'-Hydroxy-3'-methoxyacetophenone, pentyl ether

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

4'-Hydroxy-3'-methoxyacetophenone, pentyl ether
SpectraBase Compound ID 3swCKl8Xxwf
InChI InChI=1S/C14H20O3/c1-4-5-6-9-17-13-8-7-12(11(2)15)10-14(13)16-3/h7-8,10H,4-6,9H2,1-3H3
InChIKey PVGGTMGSDGHIOM-UHFFFAOYSA-N
Mol Weight 236.31 g/mol
Molecular Formula C14H20O3
Exact Mass 236.141245 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 14X2x3dnpXz
Name 4'-Hydroxy-3'-methoxyacetophenone, pentyl ether
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 236.141244501 u
Formula C14H20O3
InChI InChI=1S/C14H20O3/c1-4-5-6-9-17-13-8-7-12(11(2)15)10-14(13)16-3/h7-8,10H,4-6,9H2,1-3H3
InChIKey PVGGTMGSDGHIOM-UHFFFAOYSA-N
Molecular Weight 236.311 g/mol
SMILES C1(=CC(OC)=C(C=C1)OCCCCC)C(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.973837