| SpectraBase Spectrum ID |
JUPTqE65SBW |
| Name |
(rac)-1-Benzyl 4-(tert-butyl) (2S,3aR,4S,7aS)-2-(furan-2-yl)-2,3,3a,4,5,7a-hexahydro-1H-indole-1,4-dicarboxylate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
423.204573033 u |
| Formula |
C25H29NO5 |
| InChI |
InChI=1S/C25H29NO5/c1-25(2,3)31-23(27)18-11-7-12-20-19(18)15-21(22-13-8-14-29-22)26(20)24(28)30-16-17-9-5-4-6-10-17/h4-10,12-14,18-21H,11,15-16H2,1-3H3/t18-,19+,20-,21-/m0/s1 |
| InChIKey |
XRGRZRGZGKIDIZ-WOZUAGRISA-N |
| Instrument Name |
Finnigan MAT 90 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201501199 |
| Molecular Weight |
423.509 g/mol |
| Quality |
144 |
| Reported Formula |
C25H29NO5 |
| SMILES |
C1[C@@]([C@@]2([C@](C=C1)(N([C@@](C2)(C1=CC=CO1)[H])C(=O)OCC1=CC=CC=C1)[H])[H])(C(=O)OC(C)(C)C)[H] |
| SPLASH |
splash10-00ec-9114000000-ffdccc5bfd3512f3a677 |
| Source of Spectrum |
QE-21-SM9-17 (DOI: 10.1002/chem.201501199) |
| Thin-Layer Chromatography |
0.54 (cHex/EtOAc, 3:1) |
| Wiley ID |
1906888 |
