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Hexyl 2-methoxy benzoate

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

Hexyl 2-methoxy benzoate
SpectraBase Compound ID 1AEgG5eB2EN
InChI InChI=1S/C14H20O3/c1-3-4-5-8-11-17-14(15)12-9-6-7-10-13(12)16-2/h6-7,9-10H,3-5,8,11H2,1-2H3
InChIKey UMXZQFHEWNEFNM-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 HJC4DD8JClW
Name Benzoic acid, 2-methoxy-, hexyl ester
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/c1-3-4-5-8-11-17-14(15)12-9-6-7-10-13(12)16-2/h6-7,9-10H,3-5,8,11H2,1-2H3
InChIKey UMXZQFHEWNEFNM-UHFFFAOYSA-N
Molecular Weight 236.311 g/mol
SMILES C(=O)(OCCCCCC)C=1C=CC=CC1OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.868692