| SpectraBase Spectrum ID |
BIjaQWTvfB7 |
| Name |
1-[2'-(Methylamino)-4'-formylphenyl]-1,7-dioxa-4,10-dithia-12-hydroxydodecane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
359.122500633 u |
| Formula |
C16H25NO4S2 |
| InChI |
InChI=1S/C16H25NO4S2/c1-17-15-12-14(13-19)2-3-16(15)21-7-11-23-10-6-20-5-9-22-8-4-18/h2-3,12-13,17-18H,4-11H2,1H3 |
| InChIKey |
GVIKIDBXJLALDH-UHFFFAOYSA-N |
| Molecular Weight |
359.499 g/mol |
| SMILES |
C1(=C(C=CC(=C1)C=O)OCCSCCOCCSCCO)NC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.894635 |
![1-[2'-(Methylamino)-4'-formylphenyl]-1,7-dioxa-4,10-dithia-12-hydroxydodecane](/api/spectrum/BIjaQWTvfB7/structure.png?h=300&w=458 "1-[2'-(Methylamino)-4'-formylphenyl]-1,7-dioxa-4,10-dithia-12-hydroxydodecane")
