| SpectraBase Spectrum ID |
FuebRCM1i6m |
| Name |
(rac)-1,2-Dibenzyl 4-ethyl (2S,3aR,4S,7aS)-2,3,3a,4,5,7a-hexahydro-1H-indole-1,2,4-tricarboxylate |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
463.199487652 u |
| Formula |
C27H29NO6 |
| InChI |
InChI=1S/C27H29NO6/c1-2-32-25(29)21-14-9-15-23-22(21)16-24(26(30)33-17-19-10-5-3-6-11-19)28(23)27(31)34-18-20-12-7-4-8-13-20/h3-13,15,21-24H,2,14,16-18H2,1H3/t21-,22+,23-,24-/m0/s1 |
| InChIKey |
KDMSLHZRLILKST-KIHHCIJBSA-N |
| Instrument Name |
Finnigan MAT 90 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201501199 |
| Molecular Weight |
463.530 g/mol |
| Quality |
64 |
| Reported Formula |
C27H29NO6 |
| SMILES |
C1[C@@]([C@@]2([C@](C=C1)(N([C@@](C2)(C(=O)OCC1=CC=CC=C1)[H])C(=O)OCC1=CC=CC=C1)[H])[H])(C(=O)OCC)[H] |
| SPLASH |
splash10-005c-7069100000-8d21cf76e3c7dd08be9f |
| Source of Spectrum |
QE-21-SM21-32 (DOI: 10.1002/chem.201501199) |
| Thin-Layer Chromatography |
0.37 (cHex/EtOAc, 3:1) |
| Wiley ID |
1906896 |
