| SpectraBase Spectrum ID |
9avHW74kIsU |
| Name |
Anthranilic acid, 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)10-5-3-4-6-11(10)13/h3-6,9H,7-8,13H2,1-2H3 |
| InChIKey |
YXMRIWCMMGEYBH-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) |
0.93388 |
