| SpectraBase Spectrum ID |
IHaRzfYGXjA |
| Name |
(1R,5R,6R,7S)-2-Thiabicyclo[3.2.0]heptane-6,7-dicarboxyloic acid 2,2-dioxide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
234.019809210 u |
| Formula |
C8H10O6S |
| InChI |
InChI=1S/C8H10O6S/c9-7(10)4-3-1-2-15(13,14)6(3)5(4)8(11)12/h3-6H,1-2H2,(H,9,10)(H,11,12)/t3-,4-,5-,6-/m1/s1 |
| InChIKey |
GQHNMJJYCULNPC-KVTDHHQDSA-N |
| Molecular Weight |
234.222 g/mol |
| SMILES |
[C@]12(S(CC[C@@]1([C@]([C@]2(C(=O)O)[H])(C(=O)O)[H])[H])(=O)=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911215 |
![(1R,5R,6R,7S)-2-Thiabicyclo[3.2.0]heptane-6,7-dicarboxyloic acid 2,2-dioxide](/api/spectrum/IHaRzfYGXjA/structure.png?h=300&w=458 "(1R,5R,6R,7S)-2-Thiabicyclo[3.2.0]heptane-6,7-dicarboxyloic acid 2,2-dioxide")
