| SpectraBase Spectrum ID |
2WuWFFAe2vB |
| Name |
2,2-Dimethyl-5-(1'-ethynyl)-7-[4'-methylphenyl(propynoyl)sulfonamido]-3a,4,5,7-tetrahydro-1,3-benzodioxolone |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H21NO5S |
| InChI |
InChI=1S/C21H21NO5S/c1-6-15-10-13-17-20(27-21(4,5)26-17)19(15)22(18(23)7-2)28(24,25)16-11-8-14(3)9-12-16/h1-2,8-13,15,17,19-20H,3-5H3/t15-,17+,19+,20+/m0/s1 |
| InChIKey |
MJQGPGWHJHUILE-JQERWDHBSA-N |
| Molecular Weight |
399.461 g/mol |
| SMILES |
[C@@]1(N(S(c2ccc(cc2)C)(=O)=O)C(C#C)=O)([C@@]2(OC(C)(C)O[C@@]2(C=C[C@@]1(C#C)[H])[H])[H])[H] |
| SPLASH |
splash10-0aor-0911000000-f213c5b7773b908ca691 |
| Source of Spectrum |
AH-84-1333-45 |
| Wiley ID |
1584806 |
![2,2-Dimethyl-5-(1'-ethynyl)-7-[4'-methylphenyl(propynoyl)sulfonamido]-3a,4,5,7-tetrahydro-1,3-benzodioxolone](/api/spectrum/2WuWFFAe2vB/structure.png?h=300&w=458 "2,2-Dimethyl-5-(1'-ethynyl)-7-[4'-methylphenyl(propynoyl)sulfonamido]-3a,4,5,7-tetrahydro-1,3-benzodioxolone")
