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N-Butyl 3,4-dimethoxybenzoate

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

N-Butyl 3,4-dimethoxybenzoate
SpectraBase Compound ID AtKBzwBDNN0
InChI InChI=1S/C13H18O4/c1-4-5-8-17-13(14)10-6-7-11(15-2)12(9-10)16-3/h6-7,9H,4-5,8H2,1-3H3
InChIKey ABBWKQQUUQIENF-UHFFFAOYSA-N
Mol Weight 238.28 g/mol
Molecular Formula C13H18O4
Exact Mass 238.120509 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID B4qMmD30xSy
Name N-Butyl 3,4-dimethoxybenzoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 238.120509056 u
Formula C13H18O4
InChI InChI=1S/C13H18O4/c1-4-5-8-17-13(14)10-6-7-11(15-2)12(9-10)16-3/h6-7,9H,4-5,8H2,1-3H3
InChIKey ABBWKQQUUQIENF-UHFFFAOYSA-N
Molecular Weight 238.283 g/mol
SMILES C1=C(C=C(C(=C1)OC)OC)C(=O)OCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.953153