| SpectraBase Spectrum ID |
6ctwp7t2yH9 |
| Name |
2-Benzyl-2,3-dihydro-7-methoxy-1-methyl-4(1H)-isoquinolone, hydrochloride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
317.118256586 u |
| Formula |
C18H20ClNO2 |
| InChI |
InChI=1S/C18H19NO2.ClH/c1-13-17-10-15(21-2)8-9-16(17)18(20)12-19(13)11-14-6-4-3-5-7-14;/h3-10,13H,11-12H2,1-2H3;1H |
| InChIKey |
XYJYFROTFVRWML-UHFFFAOYSA-N |
| SMILES |
Cl.C1(OC)=CC=2C(N(CC(C2C=C1)=O)CC=1C=CC=CC1)C |
| Spectrum/Structure Validation Score (Raman) |
0.751808 |
