| SpectraBase Spectrum ID |
Ezdll9q3xqO |
| Name |
5H-Thiazolo[3,2-C]pyrimidine-3-carboxylic acid, 8-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)hexahydro-2,2-dimethyl-5,7- dioxo-, methyl ester, [3S-(3.alpha.,8.beta.,8A.alpha.)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
403.083806447 u |
| Formula |
C18H17N3O6S |
| InChI |
InChI=1S/C18H17N3O6S/c1-18(2)11(16(25)27-3)21-15(28-18)10(12(22)19-17(21)26)20-13(23)8-6-4-5-7-9(8)14(20)24/h4-7,10-11,15H,1-3H3,(H,19,22,26)/t10-,11-,15-/m1/s1 |
| InChIKey |
ONEHGZODINHLSJ-UEKVPHQBSA-N |
| Molecular Weight |
403.409 g/mol |
| SMILES |
[C@]12(N(C(NC([C@]2(N2C(C3=CC=CC=C3C2=O)=O)[H])=O)=O)[C@@](C(S1)(C)C)(C(=O)OC)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.825526 |
![5H-Thiazolo[3,2-c]pyrimidine-3-carboxylic acid, 8-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)hexahydro-2,2-dimethyl-5,7- dioxo-, methyl ester, [3S-(3.alpha.,8.beta.,8a.alpha.)]-](/api/spectrum/Ezdll9q3xqO/structure.png?h=300&w=458 "5H-Thiazolo[3,2-c]pyrimidine-3-carboxylic acid, 8-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)hexahydro-2,2-dimethyl-5,7- dioxo-, methyl ester, [3S-(3.alpha.,8.beta.,8a.alpha.)]-")
