| SpectraBase Spectrum ID |
3IWDlHmV5ik |
| Name |
Benzoic acid, 4-(dimethylamino)-, 2-oxopropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
221.105193344 u |
| Formula |
C12H15NO3 |
| InChI |
InChI=1S/C12H15NO3/c1-9(14)8-16-12(15)10-4-6-11(7-5-10)13(2)3/h4-7H,8H2,1-3H3 |
| InChIKey |
OUUJBOOJGBSMIF-UHFFFAOYSA-N |
| Molecular Weight |
221.256 g/mol |
| SMILES |
C1=C(C=CC(=C1)N(C)C)C(OCC(C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.873054 |
