| SpectraBase Spectrum ID |
3P7tq0pALrp |
| Name |
(3aS,7aS,E)-5-methyl-2-((4-methylphenyl)sulfonyl)-4-nonylidene-2,3,3a,4,7,7a-hexahydro-1H-isoindole |
| Appearance |
Oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H37NO2S |
| InChI |
InChI=1S/C25H37NO2S/c1-4-5-6-7-8-9-10-11-24-21(3)14-15-22-18-26(19-25(22)24)29(27,28)23-16-12-20(2)13-17-23/h11-14,16-17,22,25H,4-10,15,18-19H2,1-3H3/b24-11-/t22-,25+/m1/s1 |
| InChIKey |
NEJASRJIFKBBSW-UPYMXUAOSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/cjoc.202000659 |
| Molecular Weight |
415.636 g/mol |
| Optical Rotation |
[a]D26 = +126.2 (c = 0.80, CHCl3) |
| Reported Formula |
C25H37NO2S |
| SMILES |
[C@@]12([H])CN(S(=O)(=O)c3ccc(C)cc3)C[C@]1([H])\C(=C/CCCCCCCC)C(C)=CC2 |
| SPLASH |
splash10-0a4i-0900000000-3b3b751b5b26d5ba4273 |
| Sample Comments |
99% ee |
| Source of Spectrum |
CJC-39-SM26-(3aS,7aS,E)-3h, QAN-4-047, sycf-3-184 |
| Wiley ID |
1856552 |
