| SpectraBase Spectrum ID |
9kwAymHw245 |
| Name |
1,4-Ethanoisoquinolin-3(2H)-one, 1,4-dihydro-6,7-dihydroxy-2-(2-phenylethyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
309.136493473 u |
| Formula |
C19H19NO3 |
| InChI |
InChI=1S/C19H19NO3/c21-17-10-14-13-6-7-16(15(14)11-18(17)22)20(19(13)23)9-8-12-4-2-1-3-5-12/h1-5,10-11,13,16,21-22H,6-9H2 |
| InChIKey |
DXHRYVUBDJRWSV-UHFFFAOYSA-N |
| Molecular Weight |
309.365 g/mol |
| SMILES |
C1(N(C2C3=C(C1CC2)C=C(C(=C3)O)O)CCC=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.836173 |
