| SpectraBase Spectrum ID |
BikJHDPdgMA |
| Name |
10-Thiatricyclo[10.3.1.14,8]heptadeca-1(16),4,6,8(17),12,14-hexaene-6,17-dicarboxylic acid, 14,16-dimethoxy-, dimethyl ester, stereoisomer |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
416.129359661 u |
| Formula |
C22H24O6S |
| InChI |
InChI=1S/C22H24O6S/c1-25-18-9-14-6-5-13-7-15(21(23)27-3)8-16(19(13)22(24)28-4)11-29-12-17(10-18)20(14)26-2/h7-10H,5-6,11-12H2,1-4H3 |
| InChIKey |
RZHIMJCONWYGFA-UHFFFAOYSA-N |
| Molecular Weight |
416.488 g/mol |
| SMILES |
C=12C(=C(CSCC=3C(=C(CC2)C=C(C3)OC)OC)C=C(C1)C(=O)OC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.831233 |
![10-Thiatricyclo[10.3.1.14,8]heptadeca-1(16),4,6,8(17),12,14-hexaene-6,17-dicarboxylic acid, 14,16-dimethoxy-, dimethyl ester, stereoisomer](/api/spectrum/BikJHDPdgMA/structure.png?h=300&w=458 "10-Thiatricyclo[10.3.1.14,8]heptadeca-1(16),4,6,8(17),12,14-hexaene-6,17-dicarboxylic acid, 14,16-dimethoxy-, dimethyl ester, stereoisomer")
