| SpectraBase Spectrum ID |
Jawb0OtynMK |
| Name |
2-[(2,3,4,5,6-Pentamethylbenzyl)thio]-N-(2,6-xylyl)succinimide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
395.191900350 u |
| Formula |
C24H29NO2S |
| InChI |
InChI=1S/C24H29NO2S/c1-13-9-8-10-14(2)23(13)25-22(26)11-21(24(25)27)28-12-20-18(6)16(4)15(3)17(5)19(20)7/h8-10,21H,11-12H2,1-7H3 |
| InChIKey |
QYTSYMZLNDXTKR-UHFFFAOYSA-N |
| Molecular Weight |
395.561 g/mol |
| SMILES |
CC=1C(N2C(C(SCC3=C(C(=C(C(=C3C)C)C)C)C)CC2=O)=O)=C(C=CC1)C |
| Spectrum/Structure Validation Score (Raman) |
0.913469 |
![2-[(2,3,4,5,6-Pentamethylbenzyl)thio]-N-(2,6-xylyl)succinimide](/api/spectrum/Jawb0OtynMK/structure.png?h=300&w=458 "2-[(2,3,4,5,6-Pentamethylbenzyl)thio]-N-(2,6-xylyl)succinimide")
