| SpectraBase Spectrum ID |
C9eMPPr0R9w |
| Name |
Carbamic acid, [2-[6-[hydroxy[2-(3-hydroxy-4-methoxyphenyl)-1,3-dithian-2-yl]methyl]-1,3-benzodioxol-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 |
521.154194683 u |
| Formula |
C25H31NO7S2 |
| InChI |
InChI=1S/C25H31NO7S2/c1-4-31-24(29)26(2)9-8-16-12-21-22(33-15-32-21)14-18(16)23(28)25(34-10-5-11-35-25)17-6-7-20(30-3)19(27)13-17/h6-7,12-14,23,27-28H,4-5,8-11,15H2,1-3H3 |
| InChIKey |
LRBGUSHMBAUQEA-UHFFFAOYSA-N |
| Molecular Weight |
521.643 g/mol |
| SMILES |
C1(C(C2=C(C=C3C(=C2)OCO3)CCN(C(=O)OCC)C)O)(C=2C=C(O)C(=CC2)OC)SCCCS1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.843367 |
![Carbamic acid, [2-[6-[hydroxy[2-(3-hydroxy-4-methoxyphenyl)-1,3-dithian-2-yl]methyl]-1,3-benzodioxol-5-yl]ethyl]methyl-, ethyl ester](/api/spectrum/C9eMPPr0R9w/structure.png?h=300&w=458 "Carbamic acid, [2-[6-[hydroxy[2-(3-hydroxy-4-methoxyphenyl)-1,3-dithian-2-yl]methyl]-1,3-benzodioxol-5-yl]ethyl]methyl-, ethyl ester")
