| SpectraBase Spectrum ID |
LuMNbo0SF5 |
| Name |
3,3-bis(Piperidinomethyl)-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 |
482.143023244 u |
| Formula |
C22H31IN2O2 |
| InChI |
InChI=1S/C22H31IN2O2/c1-17-12-18-20(19(23)13-17)27-16-22(21(18)26,14-24-8-4-2-5-9-24)15-25-10-6-3-7-11-25/h12-13H,2-11,14-16H2,1H3 |
| InChIKey |
QOMGYFVUSOOMAM-UHFFFAOYSA-N |
| Molecular Weight |
482.406 g/mol |
| SMILES |
CC=1C=C(I)C=2OCC(C(=O)C2C1)(CN1CCCCC1)CN1CCCCC1 |
| Spectrum/Structure Validation Score (Raman) |
0.879634 |
