| SpectraBase Spectrum ID |
HwheIDch8Ih |
| Name |
2-(N-{4-[4-(4-Methylsulfonyl)styryl]styryl}phenyl)-N-ethylaminoethanol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
447.186814969 u |
| Formula |
C27H29NO3S |
| InChI |
InChI=1S/C27H29NO3S/c1-3-28(20-21-29)26-16-12-24(13-17-26)10-8-22-4-6-23(7-5-22)9-11-25-14-18-27(19-15-25)32(2,30)31/h4-19,29H,3,20-21H2,1-2H3/b10-8+,11-9+ |
| InChIKey |
QUGMDZNARKVQRZ-GFULKKFKSA-N |
| Molecular Weight |
447.593 g/mol |
| SMILES |
C1(S(=O)(=O)C)=CC=C(\C=C\C=2C=CC(\C=C\C=3C=CC(=CC3)N(CCO)CC)=CC2)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.843018 |
![2-(N-{4-[4-(4-Methylsulfonyl)styryl]styryl}phenyl)-N-ethylaminoethanol](/api/spectrum/HwheIDch8Ih/structure.png?h=300&w=458 "2-(N-{4-[4-(4-Methylsulfonyl)styryl]styryl}phenyl)-N-ethylaminoethanol")
