| SpectraBase Spectrum ID |
HgdvpEGYbhk |
| Name |
3-[bis(2-Chloroethyl)amino]-2'-propionaphthone, hydrochloride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
359.061047367 u |
| Formula |
C17H20Cl3NO |
| InChI |
InChI=1S/C17H19Cl2NO.ClH/c18-8-11-20(12-9-19)10-7-17(21)16-6-5-14-3-1-2-4-15(14)13-16;/h1-6,13H,7-12H2;1H |
| InChIKey |
MZHDDELFEPCJDN-UHFFFAOYSA-N |
| Molecular Weight |
360.712 g/mol |
| SMILES |
C=1C=2C=CC=CC2C=CC1C(=O)CCN(CCCl)CCCl.Cl |
| Spectrum/Structure Validation Score (Raman) |
0.891214 |
![3-[bis(2-Chloroethyl)amino]-2'-propionaphthone, hydrochloride](/api/spectrum/HgdvpEGYbhk/structure.png?h=300&w=458 "3-[bis(2-Chloroethyl)amino]-2'-propionaphthone, hydrochloride")
