| SpectraBase Spectrum ID |
2HF5gbG0qO |
| Name |
(3aS,4R,7aS)-4-(benzylamino)-2-methyl-6-vinyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H20N2O2 |
| InChI |
InChI=1S/C18H20N2O2/c1-3-12-9-14-16(18(22)20(2)17(14)21)15(10-12)19-11-13-7-5-4-6-8-13/h3-8,10,14-16,19H,1,9,11H2,2H3/t14-,15+,16-/m0/s1 |
| InChIKey |
BXEPTKZWGXWRFX-XHSDSOJGSA-N |
| Instrument Name |
Agilent HP 6890 series |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201510925 |
| Molecular Weight |
296.370 g/mol |
| Quality |
77 |
| Reported Formula |
C18H20N2O2 |
| SMILES |
N([C@@]1(C=C(C[C@]2([C@@]1(C(N(C2=O)C)=O)[H])[H])C=C)[H])CC1=CC=CC=C1 |
| SPLASH |
splash10-0a4l-9880000000-ce24e8ed1272949842b6 |
| Source of Spectrum |
ACI-55-SM16-3f (DOI: 10.1002/anie.201510925) |
| Thin-Layer Chromatography |
0.25 (petrol/EtOAc/Et3N, 70:30:1) |
| Wiley ID |
1895401 |
