| SpectraBase Spectrum ID |
ILCZVE5zB6f |
| Name |
(sec)-Formamide-o-methylcatechol-methyl ether |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
313.167793602 u |
| Formula |
C19H23NO3 |
| InChI |
InChI=1S/C19H23NO3/c1-14(20-13-21)11-17(15-7-5-4-6-8-15)16-9-10-18(22-2)19(12-16)23-3/h4-10,12-14,17H,11H2,1-3H3,(H,20,21) |
| InChIKey |
ZOBJEGQZPVLXKV-UHFFFAOYSA-N |
| Molecular Weight |
313.397 g/mol |
| SMILES |
C=1(C(CC(NC=O)C)C=2C=CC=CC2)C=C(OC)C(=CC1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945856 |
