| SpectraBase Spectrum ID |
L2ACRSNw2T0 |
| Name |
(S)-9a-(2-chlorobenzyl)hexahydro-5H-pyrrolo[1,2-a]azepine-5,9(6H)-dione |
| Appearance |
Colorless solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
291.102606522 u |
| Formula |
C16H18ClNO2 |
| InChI |
InChI=1S/C16H18ClNO2/c17-13-6-2-1-5-12(13)11-16-9-4-10-18(16)15(20)8-3-7-14(16)19/h1-2,5-6H,3-4,7-11H2/t16-/m0/s1 |
| InChIKey |
JRILTUOPBJPSPV-INIZCTEOSA-N |
| Instrument Name |
Shimadzu GCMSQP2010SE |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202107909 |
| Optical Rotation |
[a]D28 = 7 (c = 1.0, CHCl3) |
| Quality |
134 |
| SMILES |
C1CCC(N2[C@@](C1=O)(CCC2)CC1=C(C=CC=C1)Cl)=O |
| SPLASH |
splash10-004i-2900000000-5d395ace09df5fef5572 |
| Sample Comments |
92% ee |
| Source of Spectrum |
ACI-60-SM50-2e (DOI: 10.1002/anie.202107909) |
| Wiley ID |
1891354 |
![(S)-9a-(2-chlorobenzyl)hexahydro-5H-pyrrolo[1,2-a]azepine-5,9(6H)-dione](/api/spectrum/L2ACRSNw2T0/structure.png?h=300&w=458 "(S)-9a-(2-chlorobenzyl)hexahydro-5H-pyrrolo[1,2-a]azepine-5,9(6H)-dione")
