| SpectraBase Spectrum ID |
6O4YbxXapVY |
| Name |
Methyl (3a.alpha.,7.beta.,7a.alpha.)-7-(1',3'-benzodioxol-5'-yl)octahydro-1H-indole-1-carboylate |
| Alternate Name(s) |
methyl (3aS,7R,7aR)-7-(1,3-benzodioxol-5-yl)octahydro-1H-indole-1-carboxylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H21NO4 |
| InChI |
InChI=1S/C17H21NO4/c1-20-17(19)18-8-7-11-3-2-4-13(16(11)18)12-5-6-14-15(9-12)22-10-21-14/h5-6,9,11,13,16H,2-4,7-8,10H2,1H3/t11-,13+,16+/m0/s1 |
| InChIKey |
GCGXEWCWCSDDIX-NORZTCDRSA-N |
| Molecular Weight |
303.358 g/mol |
| SMILES |
[C@]12(N(CC[C@@]1(CCC[C@@]2(c1cc2OCOc2cc1)[H])[H])C(=O)OC)[H] |
| SPLASH |
splash10-0f6x-0907000000-7b6c5183c129027dbecf |
| Source of Spectrum |
J-65-4248-24 |
| Wiley ID |
1532697 |
