| SpectraBase Spectrum ID |
G7MDcdfyCqz |
| Name |
Methyl 2-[(1-adamantylcarbonyl)amino]-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
443.249415226 u |
| Formula |
C26H37NO3S |
| InChI |
InChI=1S/C26H37NO3S/c1-5-25(2,3)18-6-7-19-20(11-18)31-22(21(19)23(28)30-4)27-24(29)26-12-15-8-16(13-26)10-17(9-15)14-26/h15-18H,5-14H2,1-4H3,(H,27,29)/t15-,16+,17-,18?,26- |
| InChIKey |
PIPQTRVWCWFLRU-ANGPUYDVSA-N |
| Molecular Weight |
443.646 g/mol |
| SMILES |
N(C1=C(C=2CCC(CC2S1)C(CC)(C)C)C(=O)OC)C(C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])=O |
![Methyl 2-[(1-adamantylcarbonyl)amino]-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate](/api/spectrum/G7MDcdfyCqz/structure.png?h=300&w=458 "Methyl 2-[(1-adamantylcarbonyl)amino]-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate")
