| SpectraBase Spectrum ID |
A2jM5Rj0EhR |
| Name |
(rac)-Dibenzyl (2S,3aR,4S,7aS)-4-acetyl-2,3,3a,4,5,7a-hexahydro-1H-indole-1,2-dicarboxylate |
| Appearance |
Yellowish oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
433.188922968 u |
| Formula |
C26H27NO5 |
| InChI |
InChI=1S/C26H27NO5/c1-18(28)21-13-8-14-23-22(21)15-24(25(29)31-16-19-9-4-2-5-10-19)27(23)26(30)32-17-20-11-6-3-7-12-20/h2-12,14,21-24H,13,15-17H2,1H3/t21-,22-,23+,24+/m1/s1 |
| InChIKey |
DUKJHVFLELOYTF-LWSSLDFYSA-N |
| Instrument Name |
Finnigan MAT 90 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201501199 |
| Molecular Weight |
433.504 g/mol |
| Quality |
76 |
| Reported Formula |
C26H27NO5 |
| SMILES |
C1[C@@]([C@@]2([C@](C=C1)(N(C(=O)OCC1=CC=CC=C1)[C@](C(=O)OCC=1C=CC=CC1)(C2)[H])[H])[H])(C(=O)C)[H] |
| SPLASH |
splash10-0f6y-6090000000-504f398d4d42ea7317e1 |
| Source of Spectrum |
QE-21-SM27-37 (DOI: 10.1002/chem.201501199) |
| Thin-Layer Chromatography |
0.17 (cHex/EtOAc, 3:1) |
| Wiley ID |
1906901 |
