| SpectraBase Spectrum ID |
JuLtz9aSuTg |
| Name |
(3S,4S,5S,7aR)-(-)-3,5-Diphenyl-4-[(4-acetyloxyphenyl)methyl]pyrrolizidinium chloride |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H30ClNO2 |
| InChI |
InChI=1S/C28H30NO2.ClH/c1-21(30)31-26-16-12-22(13-17-26)20-29-25(14-18-27(29)23-8-4-2-5-9-23)15-19-28(29)24-10-6-3-7-11-24;/h2-13,16-17,25,27-28H,14-15,18-20H2,1H3;1H/q+1;/p-1/t25?,27-,28-,29?;/m0./s1 |
| InChIKey |
SKHRKEPAFYGKTO-FXRNPQRZSA-M |
| Molecular Weight |
448.006 g/mol |
| SMILES |
[Cl-].[C@]1([N+]2(C(CC1)CC[C@]2(c1ccccc1)[H])Cc1ccc(OC(=O)C)cc1)(c1ccccc1)[H] |
| SPLASH |
splash10-001i-9010000000-c5dc5152d09b8d9013e7 |
| Source of Spectrum |
J-64-1731-6 |
| Synonyms |
acetic acid [4-[[(3S,5S)-3,5-diphenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-4-yl]methyl]phenyl] ester;chloride
[4-[[(3S,5S)-3,5-diphenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-4-yl]methyl]phenyl] acetate;chloride
[4-[[(3S,5S)-3,5-diphenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-4-yl]methyl]phenyl] ethanoate;chloride |
| Wiley ID |
1529564 |
![(3S,4S,5S,7aR)-(-)-3,5-Diphenyl-4-[(4-acetyloxyphenyl)methyl]pyrrolizidinium chloride](/api/spectrum/JuLtz9aSuTg/structure.png?h=300&w=458 "(3S,4S,5S,7aR)-(-)-3,5-Diphenyl-4-[(4-acetyloxyphenyl)methyl]pyrrolizidinium chloride")
