| SpectraBase Spectrum ID |
8kyAR8HVd15 |
| Name |
N,N-Diethyl-1,3-benzodioxole-4-carboxamide |
| 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/c1-3-13(4-2)12(14)9-6-5-7-10-11(9)16-8-15-10/h5-7H,3-4,8H2,1-2H3 |
| InChIKey |
DRXFRMCCSGMTRB-UHFFFAOYSA-N |
| Molecular Weight |
221.256 g/mol |
| SMILES |
C=1(C(N(CC)CC)=O)C=2OCOC2C=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925301 |
