| SpectraBase Spectrum ID |
EhQRCa97LOt |
| Name |
(E)-1-(p-Chlorophenyl)-4-[(dimethylamino)methyl]-1-nonen-3-one, hydrochloride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
343.146969892 u |
| Formula |
C18H27Cl2NO |
| InChI |
InChI=1S/C18H26ClNO.ClH/c1-4-5-6-7-16(14-20(2)3)18(21)13-10-15-8-11-17(19)12-9-15;/h8-13,16H,4-7,14H2,1-3H3;1H/b13-10+; |
| InChIKey |
SPRIQYGFVDJXBW-RSGUCCNWSA-N |
| Molecular Weight |
344.326 g/mol |
| SMILES |
Cl.CCCCCC(C(\C=C\C=1C=CC(=CC1)Cl)=O)CN(C)C |
| Spectrum/Structure Validation Score (Raman) |
0.907014 |
![(E)-1-(p-chlorophenyl)-4-[(dimethylamino)methyl]-1-nonen-3-one, hydrochloride](/api/spectrum/EhQRCa97LOt/structure.png?h=300&w=458 "(E)-1-(p-chlorophenyl)-4-[(dimethylamino)methyl]-1-nonen-3-one, hydrochloride")
