| SpectraBase Spectrum ID |
1LXfycVeraC |
| Name |
Isoquinoline, 2-(diphenylphosphinyl)-3-ethoxy-2,3,4,4a,5,6,7,8-octahydro-1-methyl-, trans- |
| CAS Registry Number |
132646-70-9 |
| Comments |
Edited after expert review for CH2Cl2 contamination - Original record with SpectrumID 1367131 moved to the Legacy library |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H30NO2P |
| InChI |
InChI=1S/C24H30NO2P/c1-3-27-24-18-20-12-10-11-17-23(20)19(2)25(24)28(26,21-13-6-4-7-14-21)22-15-8-5-9-16-22/h4-9,13-16,20,24H,3,10-12,17-18H2,1-2H3/t20-,24+/m0/s1 |
| InChIKey |
WRYOEUGXZDKEKC-GBXCKJPGSA-N |
| Molecular Weight |
395.483 g/mol |
| SMILES |
c1(P(N2C(=C3CCCC[C@]3(C[C@]2(OCC)[H])[H])C)(=O)c2ccccc2)ccccc1 |
| SPLASH |
splash10-002b-9612000000-fb846ecfc97945f33806 |
| Source of Spectrum |
C-113-1721-2 |
| Synonyms |
(3R,4aS)-2-(diphenylphosphoryl)-3-ethoxy-1-methyl-2,3,4,4a,5,6,7,8-octahydroisoquinoline
(3R,4aS)-3-ethoxy-1-methyl-4,4a,5,6,7,8-hexahydro-2(3H)-isoquinolinyl(diphenyl)phosphine oxide
(3S*,4aR*)-2-(diphenylphosphinyl)-1-methyl-3-ethoxy-2,3,4,4a,5,6,7-octahydroisoquinoline |
| Wiley ID |
1821274 |
