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Methyl 2-(isopentylamino)benzoate

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

Methyl 2-(isopentylamino)benzoate
SpectraBase Compound ID ByEgrg83oRa
InChI InChI=1S/C13H19NO2/c1-10(2)8-9-14-12-7-5-4-6-11(12)13(15)16-3/h4-7,10,14H,8-9H2,1-3H3
InChIKey IIWKDYNSYHLHNY-UHFFFAOYSA-N
Mol Weight 221.3 g/mol
Molecular Formula C13H19NO2
Exact Mass 221.141579 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IumWMRYO4dp
Name Methyl 2-(isopentylamino)benzoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 221.141578854 u
Formula C13H19NO2
InChI InChI=1S/C13H19NO2/c1-10(2)8-9-14-12-7-5-4-6-11(12)13(15)16-3/h4-7,10,14H,8-9H2,1-3H3
InChIKey IIWKDYNSYHLHNY-UHFFFAOYSA-N
Molecular Weight 221.300 g/mol
SMILES C(C1=C(C=CC=C1)NCCC(C)C)(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.855409