| SpectraBase Spectrum ID |
Hrg7XpJwwNb |
| Name |
3-Hydroxy-3-(2-methoxy-1-methyl-1-phenylethyl)isoindolin-1-one, diastereomer B |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
297.136493473 u |
| Formula |
C18H19NO3 |
| InChI |
InChI=1S/C18H19NO3/c1-17(12-22-2,13-8-4-3-5-9-13)18(21)15-11-7-6-10-14(15)16(20)19-18/h3-11,21H,12H2,1-2H3,(H,19,20) |
| InChIKey |
WKHOHPILAZEYAM-UHFFFAOYSA-N |
| Molecular Weight |
297.354 g/mol |
| SMILES |
C1(NC(=O)C=2C1=CC=CC2)(C(C1=CC=CC=C1)(COC)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.850866 |
