| SpectraBase Spectrum ID |
IpxuHCMr721 |
| Name |
2C-T-28 N,N-bis(4-Chlorobenzyl) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
521.135833945 u |
| Formula |
C27H30Cl2FNO2S |
| InChI |
InChI=1S/C27H30Cl2FNO2S/c1-32-25-17-27(34-15-3-13-30)26(33-2)16-22(25)12-14-31(18-20-4-8-23(28)9-5-20)19-21-6-10-24(29)11-7-21/h4-11,16-17H,3,12-15,18-19H2,1-2H3 |
| InChIKey |
ZHEQFIAFROJUKM-UHFFFAOYSA-N |
| Molecular Weight |
522.506 g/mol |
| SMILES |
C1(=C(C=C(C(=C1)OC)SCCCF)OC)CCN(CC=1C=CC(=CC1)Cl)CC1=CC=C(C=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.927994 |
