| SpectraBase Spectrum ID |
B9Ij1hSzMXQ |
| Name |
Benzoic acid, 4-(diethylamino)-, methyl 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/c1-4-13(5-2)11-8-6-10(7-9-11)12(14)15-3/h6-9H,4-5H2,1-3H3 |
| InChIKey |
NRZLHHHHUNKJOP-UHFFFAOYSA-N |
| Molecular Weight |
207.273 g/mol |
| SMILES |
C1=CC(=CC=C1C(OC)=O)N(CC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925943 |
