| SpectraBase Spectrum ID |
ExUxdWbh1TE |
| Name |
Benzoic acid, 3-isopropylamino-, isopropyl 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/c1-9(2)14-12-7-5-6-11(8-12)13(15)16-10(3)4/h5-10,14H,1-4H3 |
| InChIKey |
NUMSWSHSMYQMSZ-UHFFFAOYSA-N |
| Molecular Weight |
221.300 g/mol |
| SMILES |
C1=C(C=CC=C1C(OC(C)C)=O)NC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921331 |
