| SpectraBase Spectrum ID |
2ZQsKwuI48y |
| Name |
(rac)-Benzyl (2S,3aR,4S,7aS)-4-cyano-2-(furan-2-yl)-2,3,3a,4,5,7a-hexahydro-1H-indole-1-carboxylate |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H20N2O3 |
| InChI |
InChI=1S/C21H20N2O3/c22-13-16-8-4-9-18-17(16)12-19(20-10-5-11-25-20)23(18)21(24)26-14-15-6-2-1-3-7-15/h1-7,9-11,16-19H,8,12,14H2/t16-,17-,18+,19+/m1/s1 |
| InChIKey |
NRWACSMRESYLMF-YRXWBPOGSA-N |
| Instrument Name |
Finnigan MAT 90 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201501199 |
| Molecular Weight |
348.402 g/mol |
| Quality |
72 |
| Reported Formula |
C21H20N2O3 |
| SMILES |
C1[C@@]([C@@]2([C@](C=C1)(N([C@@](C2)(C1=CC=CO1)[H])C(=O)OCC1=CC=CC=C1)[H])[H])(C#N)[H] |
| SPLASH |
splash10-08fu-3090000000-3ed83fa7b6db010e21bf |
| Source of Spectrum |
QE-21-SM16-25 (DOI: 10.1002/chem.201501199) |
| Thin-Layer Chromatography |
0.32 (cHex/EtOAc, 3:1) |
| Wiley ID |
1906891 |
