| SpectraBase Spectrum ID |
foctSgXNES |
| Name |
[(1-Chloro-2-naphthyl)oxy]phenylacetic acid, 3-(dimethylamino)propyl ester, hydrochloride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
433.121149066 u |
| Formula |
C23H25Cl2NO3 |
| InChI |
InChI=1S/C23H24ClNO3.ClH/c1-25(2)15-8-16-27-23(26)22(18-10-4-3-5-11-18)28-20-14-13-17-9-6-7-12-19(17)21(20)24;/h3-7,9-14,22H,8,15-16H2,1-2H3;1H |
| InChIKey |
NENKIBIESQPZCD-UHFFFAOYSA-N |
| Molecular Weight |
434.363 g/mol |
| SMILES |
C=12C=CC=CC1C=CC(=C2Cl)OC(C(OCCCN(C)C)=O)C=1C=CC=CC1.Cl |
| Spectrum/Structure Validation Score (Raman) |
0.754655 |
![[(1-Chloro-2-naphthyl)oxy]phenylacetic acid, 3-(dimethylamino)propyl ester, hydrochloride](/api/spectrum/foctSgXNES/structure.png?h=300&w=458 "[(1-Chloro-2-naphthyl)oxy]phenylacetic acid, 3-(dimethylamino)propyl ester, hydrochloride")
