| SpectraBase Spectrum ID |
51M5t6LlCRN |
| Name |
5-[4-[2-[(6-Hydroxy-2,5,7,8-tetramethyl-chroman-2-yl)methyl-methyl-amino]ethoxy]benzyl]thiazolidine-2,4-quinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
498.218843372 u |
| Formula |
C27H34N2O5S |
| InChI |
InChI=1S/C27H34N2O5S/c1-16-17(2)24-21(18(3)23(16)30)10-11-27(4,34-24)15-29(5)12-13-33-20-8-6-19(7-9-20)14-22-25(31)28-26(32)35-22/h6-9,22,30H,10-15H2,1-5H3,(H,28,31,32) |
| InChIKey |
PUZNPKYWTAXHCD-UHFFFAOYSA-N |
| Molecular Weight |
498.638 g/mol |
| SMILES |
C1(SC(C(N1)=O)CC=1C=CC(=CC1)OCCN(C)CC1(CCC=2C(=C(C(=C(C2O1)C)C)O)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.880502 |
![5-[4-[2-[(6-Hydroxy-2,5,7,8-tetramethyl-chroman-2-yl)methyl-methyl-amino]ethoxy]benzyl]thiazolidine-2,4-quinone](/api/spectrum/51M5t6LlCRN/structure.png?h=300&w=458 "5-[4-[2-[(6-Hydroxy-2,5,7,8-tetramethyl-chroman-2-yl)methyl-methyl-amino]ethoxy]benzyl]thiazolidine-2,4-quinone")
