| SpectraBase Spectrum ID |
3dqLLmdYC67 |
| Name |
(S)-9a-(4-chlorobenzyl)hexahydro-5H-pyrrolo[1,2-a]azepine-5,9(6H)-dione |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
291.102606522 u |
| Formula |
C16H18ClNO2 |
| InChI |
InChI=1S/C16H18ClNO2/c17-13-7-5-12(6-8-13)11-16-9-2-10-18(16)15(20)4-1-3-14(16)19/h5-8H,1-4,9-11H2/t16-/m0/s1 |
| InChIKey |
TWSQBDLVDLYTCX-INIZCTEOSA-N |
| Instrument Name |
Shimadzu GCMSQP2010SE |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202107909 |
| Optical Rotation |
[a]D29 = 41 (c = 1.0, CHCl3) |
| Quality |
217 |
| SMILES |
C1CCC(N2[C@@](C1=O)(CCC2)CC1=CC=C(C=C1)Cl)=O |
| SPLASH |
splash10-004i-0900000000-741cc7dc54158fb53b6b |
| Sample Comments |
89% ee |
| Source of Spectrum |
ACI-60-SM51-2f (DOI: 10.1002/anie.202107909) |
| Wiley ID |
1891355 |
![(S)-9a-(4-chlorobenzyl)hexahydro-5H-pyrrolo[1,2-a]azepine-5,9(6H)-dione](/api/spectrum/3dqLLmdYC67/structure.png?h=300&w=458 "(S)-9a-(4-chlorobenzyl)hexahydro-5H-pyrrolo[1,2-a]azepine-5,9(6H)-dione")
