| SpectraBase Spectrum ID |
5M3NuofoVD2 |
| Name |
Hexanoic acid, 1-[[(dicyclohexylamino)sulfonyl]methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl ester, (1S-exo)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
495.338230232 u |
| Formula |
C28H49NO4S |
| InChI |
InChI=1S/C28H49NO4S/c1-4-5-8-17-26(30)33-25-20-22-18-19-28(25,27(22,2)3)21-34(31,32)29(23-13-9-6-10-14-23)24-15-11-7-12-16-24/h22-25H,4-21H2,1-3H3/t22-,25+,28-/m0/s1 |
| InChIKey |
BUPVLLMZJYTYSV-DLNIMUOOSA-N |
| Molecular Weight |
495.763 g/mol |
| SMILES |
C(S(N(C1CCCCC1)C1CCCCC1)(=O)=O)[C@]12C([C@@](CC2)(C[C@]1(OC(=O)CCCCC)[H])[H])(C)C |
![Hexanoic acid, 1-[[(dicyclohexylamino)sulfonyl]methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl ester, (1S-exo)-](/api/spectrum/5M3NuofoVD2/structure.png?h=300&w=458 "Hexanoic acid, 1-[[(dicyclohexylamino)sulfonyl]methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl ester, (1S-exo)-")
