| SpectraBase Spectrum ID |
FLBOFkN6i1 |
| Name |
1-Chloro-4-formyl-3-methoxy-5,6,7,8-tetrahydroisoquinolin-3(2H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
242.058395980 u |
| Formula |
C11H13ClNO3 |
| InChI |
InChI=1S/C11H13ClNO3/c1-16-11(15)9(6-14)7-4-2-3-5-8(7)10(12)13-11/h6H,2-5H2,1H3,(H,13,15) |
| InChIKey |
NRGKMROSVSQNES-UHFFFAOYSA-N |
| Molecular Weight |
242.682 g/mol |
| Nominal Mass |
242 u |
| SMILES |
C=1(N[C](C(=C2CCCCC12)C=O)(=O)OC)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938382 |
