| SpectraBase Spectrum ID |
2YU4TRxmRKL |
| Name |
25C-Nb4Ome hydrochloride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
371.105499002 u |
| Formula |
C18H23Cl2NO3 |
| InChI |
InChI=1S/C18H22ClNO3.ClH/c1-21-15-6-4-13(5-7-15)12-20-9-8-14-10-18(23-3)16(19)11-17(14)22-2;/h4-7,10-11,20H,8-9,12H2,1-3H3;1H |
| InChIKey |
QLOMGSVFQVAOLL-UHFFFAOYSA-N |
| Molecular Weight |
372.292 g/mol |
| SMILES |
Cl.N(CCC1=CC(=C(C=C1OC)Cl)OC)CC=1C=CC(=CC1)OC |
| Spectrum/Structure Validation Score (Raman) |
0.896838 |
