| SpectraBase Spectrum ID |
FVvq1uBWIIN |
| Name |
(3S,4S,5S,7aR)-(-)-3,5-Bis(2-methoxyphenyl)-4-benzylpyrrolizidinium chloride |
| Alternate Name(s) |
(3S,5S)-4-benzyl-3,5-bis(2-methoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium;chloride
(3S,5S)-3,5-bis(2-methoxyphenyl)-4-(phenylmethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium;chloride |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H32ClNO2 |
| InChI |
InChI=1S/C28H32NO2.ClH/c1-30-27-14-8-6-12-23(27)25-18-16-22-17-19-26(24-13-7-9-15-28(24)31-2)29(22,25)20-21-10-4-3-5-11-21;/h3-15,22,25-26H,16-20H2,1-2H3;1H/q+1;/p-1/t22?,25-,26-,29?;/m0./s1 |
| InChIKey |
OAEZYKYBOOSSBK-JPGQFNKISA-M |
| Molecular Weight |
450.022 g/mol |
| SMILES |
[Cl-].[C@]1([N+]2(C(CC1)CC[C@]2(c1c(OC)cccc1)[H])Cc1ccccc1)(c1c(OC)cccc1)[H] |
| SPLASH |
splash10-0006-9000000000-003ba9d1e06a56fa1619 |
| Source of Spectrum |
J-64-1731-6 |
| Wiley ID |
1529566 |
