| SpectraBase Spectrum ID |
85QIjtpwJAt |
| Name |
(3aS,4R,7aS)-2-methyl-4-(1-piperidyl)-6-vinyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione |
| Appearance |
Yellow solid |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
274.168127954 u |
| Formula |
C16H22N2O2 |
| InChI |
InChI=1S/C16H22N2O2/c1-3-11-9-12-14(16(20)17(2)15(12)19)13(10-11)18-7-5-4-6-8-18/h3,10,12-14H,1,4-9H2,2H3/t12-,13+,14-/m0/s1 |
| InChIKey |
IOLMMCDXBXTZFM-MJBXVCDLSA-N |
| Instrument Name |
Agilent HP 6890 series |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201510925 |
| Quality |
83 |
| Reported Formula |
C16H22N2O2 |
| SMILES |
C=1[C@]([C@@]2([C@](CC1C=C)(C(N(C2=O)C)=O)[H])[H])(N1CCCCC1)[H] |
| SPLASH |
splash10-05gi-6390000000-b501171fe297a8e21295 |
| Source of Spectrum |
ACI-55-SM14-3b (DOI: 10.1002/anie.201510925) |
| Thin-Layer Chromatography |
0.31 (petrol/EtOAc/Et3N, 80:20:1) |
| Wiley ID |
1895397 |
