| SpectraBase Spectrum ID |
HE4dp51X6do |
| Name |
(rac)-benzyl 2S,3aR,4S,7aS)-2,4-bis(methoxy(methyl)carbamoyl)-2,3,3a,4,5,7a-hexahydro-1H-indole-1-carboxylate |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
431.205635660 u |
| Formula |
C22H29N3O6 |
| InChI |
InChI=1S/C22H29N3O6/c1-23(29-3)20(26)16-11-8-12-18-17(16)13-19(21(27)24(2)30-4)25(18)22(28)31-14-15-9-6-5-7-10-15/h5-10,12,16-19H,11,13-14H2,1-4H3/t16-,17+,18-,19-/m0/s1 |
| InChIKey |
WIZPFIMTCPHYBR-RDGPPVDQSA-N |
| Instrument Name |
Finnigan MAT 90 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201501199 |
| Molecular Weight |
431.489 g/mol |
| Quality |
67 |
| Reported Formula |
C22H29N3O6 |
| SMILES |
C1[C@@]([C@@]2([C@](C=C1)(N([C@@](C2)(C(=O)N(C)OC)[H])C(=O)OCC1=CC=CC=C1)[H])[H])(C(=O)N(OC)C)[H] |
| SPLASH |
splash10-0006-9024000000-9fd7be8d54d4579d6f66 |
| Source of Spectrum |
QE-21-SM25-35c (DOI: 10.1002/chem.201501199) |
| Thin-Layer Chromatography |
0.33 (cHex/EtOAc, 1:5) |
| Wiley ID |
1906900 |
