| SpectraBase Spectrum ID |
B1cVtR35yS7 |
| Name |
(rac)-Dibenzyl (2S,3aR,4S,7aS)-4-(methoxy(methyl)carbamoyl)-2,3,3a,4,5,7a-hexahydro-1H-indole-1,2-dicarboxylate |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
478.210386688 u |
| Formula |
C27H30N2O6 |
| InChI |
InChI=1S/C27H30N2O6/c1-28(33-2)25(30)21-14-9-15-23-22(21)16-24(26(31)34-17-19-10-5-3-6-11-19)29(23)27(32)35-18-20-12-7-4-8-13-20/h3-13,15,21-24H,14,16-18H2,1-2H3/t21-,22+,23-,24-/m0/s1 |
| InChIKey |
WQFQRFXVBNIGEY-KIHHCIJBSA-N |
| Instrument Name |
Finnigan MAT 90 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201501199 |
| Molecular Weight |
478.545 g/mol |
| Quality |
94 |
| Reported Formula |
C27H30N2O6 |
| 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)N(OC)C)[H] |
| SPLASH |
splash10-0006-9054000000-a73694fecda38cc51948 |
| Source of Spectrum |
QE-21-SM24-35a (DOI: 10.1002/chem.201501199) |
| Thin-Layer Chromatography |
0.73 (cHex/EtOAc, 1:5) |
| Wiley ID |
1906899 |
