| SpectraBase Spectrum ID |
ERolH7AfJ75 |
| Name |
Carbamic acid, [2-[6-[[2-(3,4-dimethoxyphenyl)-1,3-dithian-2-yl]hydroxymethyl]-1,3-B enzodioxol-5-yl]ethyl]methyl-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
535.169844748 u |
| Formula |
C26H33NO7S2 |
| InChI |
InChI=1S/C26H33NO7S2/c1-5-34-26(35-11-6-12-36-26)27(2)10-9-17-13-22-23(33-16-32-22)15-19(17)25(29)24(28)18-7-8-20(30-3)21(14-18)31-4/h7-8,13-15,25,29H,5-6,9-12,16H2,1-4H3 |
| InChIKey |
DFSXRTQEEVIPGW-UHFFFAOYSA-N |
| Molecular Weight |
535.670 g/mol |
| SMILES |
C1(SCCCS1)(N(CCC=1C(C(C(C=2C=C(OC)C(=CC2)OC)=O)O)=CC2=C(C1)OCO2)C)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962684 |
![Carbamic acid, [2-[6-[[2-(3,4-dimethoxyphenyl)-1,3-dithian-2-yl]hydroxymethyl]-1,3-b enzodioxol-5-yl]ethyl]methyl-, ethyl ester](/api/spectrum/ERolH7AfJ75/structure.png?h=300&w=458 "Carbamic acid, [2-[6-[[2-(3,4-dimethoxyphenyl)-1,3-dithian-2-yl]hydroxymethyl]-1,3-b enzodioxol-5-yl]ethyl]methyl-, ethyl ester")
