| SpectraBase Spectrum ID |
G5d4PAqI0sj |
| Name |
(R*)-1-Benzyl-3,3-dichloro-4-[(S*)-1-chloroethyl]-pyrrolidin-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
305.014097174 u |
| Formula |
C13H14Cl3NO |
| InChI |
InChI=1S/C13H14Cl3NO/c1-9(14)11-8-17(12(18)13(11,15)16)7-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/t9-,11+/m0/s1 |
| InChIKey |
AFXOVPANWDIAKW-GXSJLCMTSA-N |
| Molecular Weight |
306.620 g/mol |
| SMILES |
C1(C(N(CC2=CC=CC=C2)C[C@@]1([C@@](Cl)(C)[H])[H])=O)(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.867615 |
![(R*)-1-Benzyl-3,3-dichloro-4-[(S*)-1-chloroethyl]-pyrrolidin-2-one](/api/spectrum/G5d4PAqI0sj/structure.png?h=300&w=458 "(R*)-1-Benzyl-3,3-dichloro-4-[(S*)-1-chloroethyl]-pyrrolidin-2-one")
