| SpectraBase Spectrum ID |
DVPHzaQY3gf |
| Name |
3,3-bis(Morpholinomethyl)-8-iodo-6-methyl-4-chromanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
486.101552353 u |
| Formula |
C20H27IN2O4 |
| InChI |
InChI=1S/C20H27IN2O4/c1-15-10-16-18(17(21)11-15)27-14-20(19(16)24,12-22-2-6-25-7-3-22)13-23-4-8-26-9-5-23/h10-11H,2-9,12-14H2,1H3 |
| InChIKey |
FTAHEYHDIAYDEH-UHFFFAOYSA-N |
| Molecular Weight |
486.350 g/mol |
| SMILES |
CC=1C=C(I)C=2OCC(C(=O)C2C1)(CN1CCOCC1)CN1CCOCC1 |
| Spectrum/Structure Validation Score (Raman) |
0.857394 |
