| SpectraBase Spectrum ID |
8WK69BVhh0Z |
| Name |
(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl-2-(1H-indol-3-yl)-acetate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
313.204179111 u |
| Formula |
C20H27NO2 |
| InChI |
InChI=1S/C20H27NO2/c1-13(2)16-9-8-14(3)10-19(16)23-20(22)11-15-12-21-18-7-5-4-6-17(15)18/h4-7,12-14,16,19,21H,8-11H2,1-3H3/t14-,16+,19-/m1/s1 |
| InChIKey |
VJHINTYMUMFPSV-SIXWZSSISA-N |
| Molecular Weight |
313.441 g/mol |
| SMILES |
C1(=CNC2=C1C=CC=C2)CC(O[C@]1([C@@](CC[C@](C1)(C)[H])(C(C)C)[H])[H])=O |
