| SpectraBase Spectrum ID |
6ulsLhLdkNH |
| Name |
Benzoic acid, 4-(3-methylbutyl)amino-, methyl ester |
| 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)8-9-14-12-6-4-11(5-7-12)13(15)16-3/h4-7,10,14H,8-9H2,1-3H3 |
| InChIKey |
RKDKMPLYJGJTQU-UHFFFAOYSA-N |
| Molecular Weight |
221.300 g/mol |
| SMILES |
C1=CC(=CC=C1C(OC)=O)NCCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.897938 |
