SpectraBase Spectrum ID |
zhSwNfpH6B |
Name |
3,4-Dihydro-6,7,8-trimethoxyisocarbostyril |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
237.100107963 u |
Formula |
C12H15NO4 |
InChI |
InChI=1S/C12H15NO4/c1-15-8-6-7-4-5-13-12(14)9(7)11(17-3)10(8)16-2/h6H,4-5H2,1-3H3,(H,13,14) |
InChIKey |
MOIZMEVYOCUNAT-UHFFFAOYSA-N |
Molecular Weight |
237.255 g/mol |
SMILES |
N1CCC=2C=C(C(=C(C2C1=O)OC)OC)OC |
Spectrum/Structure Validation Score (Raman) |
0.955621 |