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1-Butoxypropan-2-yl benzoate

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

1-Butoxypropan-2-yl benzoate
SpectraBase Compound ID 67nmz4BZk8Q
InChI InChI=1S/C14H20O3/c1-3-4-10-16-11-12(2)17-14(15)13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3
InChIKey FOKAIIYGGXBYCU-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 A8o7Z7uxMFH
Name 1-Butoxypropan-2-yl benzoate
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/c1-3-4-10-16-11-12(2)17-14(15)13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3
InChIKey FOKAIIYGGXBYCU-UHFFFAOYSA-N
Molecular Weight 236.311 g/mol
SMILES CCCCOCC(C)OC(C1=CC=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.921347