| SpectraBase Spectrum ID |
BIvQ2MFC3xb |
| Name |
(S)-1-[(E)-2,3-bis-(3,4-Dimethoxy-phenyl)-allyl]-2-chloromethyl-pyrrolidine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
431.186336146 u |
| Formula |
C24H30ClNO4 |
| InChI |
InChI=1S/C24H30ClNO4/c1-27-21-9-7-17(13-23(21)29-3)12-19(16-26-11-5-6-20(26)15-25)18-8-10-22(28-2)24(14-18)30-4/h7-10,12-14,20H,5-6,11,15-16H2,1-4H3/b19-12-/t20-/m0/s1 |
| InChIKey |
GBDONGBXVCYNQY-CBXNMNPBSA-N |
| Molecular Weight |
431.960 g/mol |
| SMILES |
C=1(\C=C\(CN2[C@](CCl)(CCC2)[H])C=2C=C(OC)C(=CC2)OC)C=C(OC)C(=CC1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.823223 |
![(S)-1-[(E)-2,3-Bis-(3,4-dimethoxy-phenyl)-allyl]-2-chloromethyl-pyrrolidine](/api/spectrum/BIvQ2MFC3xb/structure.png?h=300&w=458 "(S)-1-[(E)-2,3-Bis-(3,4-dimethoxy-phenyl)-allyl]-2-chloromethyl-pyrrolidine")
