| SpectraBase Spectrum ID |
DWtgc5oTTPw |
| Name |
Benzoic acid, 4-amino-, 3-methylbutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
207.125928789 u |
| Formula |
C12H17NO2 |
| InChI |
InChI=1S/C12H17NO2/c1-9(2)7-8-15-12(14)10-3-5-11(13)6-4-10/h3-6,9H,7-8,13H2,1-2H3 |
| InChIKey |
DVPONJRILZFUGU-UHFFFAOYSA-N |
| Molecular Weight |
207.273 g/mol |
| SMILES |
C1=CC(=CC=C1C(OCCC(C)C)=O)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.877212 |
