| SpectraBase Spectrum ID |
9jPuxJbO2H0 |
| Name |
Eseroline, 1-demethyl-, phenylcarbamate(ester) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
323.163376926 u |
| Formula |
C19H21N3O2 |
| InChI |
InChI=1S/C19H21N3O2/c1-19-10-11-20-17(19)22(2)16-9-8-14(12-15(16)19)24-18(23)21-13-6-4-3-5-7-13/h3-9,12,17,20H,10-11H2,1-2H3,(H,21,23) |
| InChIKey |
ITTCFQIHBIBVEN-UHFFFAOYSA-N |
| Molecular Weight |
323.396 g/mol |
| SMILES |
C1(=CC=CC=C1)NC(=O)OC1=CC=C2N(C)C3C(C2=C1)(CCN3)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.890514 |
