| SpectraBase Spectrum ID |
HEfLu1a7uai |
| Name |
2-Benzyl-8A-methyl-3,4,4A,5,6,8A-hexahydro-6-hydroxy-1(2H)-isoquinolinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
271.157228918 u |
| Formula |
C17H21NO2 |
| InChI |
InChI=1S/C17H21NO2/c1-17-9-7-15(19)11-14(17)8-10-18(16(17)20)12-13-5-3-2-4-6-13/h2-7,9,14-15,19H,8,10-12H2,1H3 |
| InChIKey |
SSNPRRGYKMUFPW-UHFFFAOYSA-N |
| Molecular Weight |
271.360 g/mol |
| SMILES |
C1(C2(C=CC(CC2CCN1CC=1C=CC=CC1)O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.970889 |
