| SpectraBase Spectrum ID |
INUBAh7KZQd |
| Name |
Isoindol-1-one, 3-benzyl-3-hydroxy-2-(3-hydroxypropyl)-2,3-dihydro- |
| 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/c20-12-6-11-19-17(21)15-9-4-5-10-16(15)18(19,22)13-14-7-2-1-3-8-14/h1-5,7-10,20,22H,6,11-13H2 |
| InChIKey |
XQXMCRGVFNIFSD-UHFFFAOYSA-N |
| Molecular Weight |
297.354 g/mol |
| SMILES |
C1(N(C(=O)C2=C1C=CC=C2)CCCO)(CC=1C=CC=CC1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.863281 |
