| SpectraBase Spectrum ID |
IXkCN60QVqN |
| Name |
(S)-9a-(thiophen-2-ylmethyl)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 |
263.097999963 u |
| Formula |
C14H17NO2S |
| InChI |
InChI=1S/C14H17NO2S/c16-12-5-1-6-13(17)15-8-3-7-14(12,15)10-11-4-2-9-18-11/h2,4,9H,1,3,5-8,10H2/t14-/m0/s1 |
| InChIKey |
UGCXRGKABATNGA-AWEZNQCLSA-N |
| Instrument Name |
Shimadzu GCMSQP2010SE |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202107909 |
| Molecular Weight |
263.355 g/mol |
| Optical Rotation |
[a]D28 = 40 (c = 1.0, CHCl3) |
| Quality |
195 |
| SMILES |
C1CCC(N2[C@@](C1=O)(CCC2)CC=1SC=CC1)=O |
| SPLASH |
splash10-0002-9400000000-34267a782ebfb3ab97a7 |
| Sample Comments |
80% ee |
| Source of Spectrum |
ACI-60-SM54-2k (DOI: 10.1002/anie.202107909) |
| Wiley ID |
1891358 |
![(S)-9a-(thiophen-2-ylmethyl)hexahydro-5H-pyrrolo[1,2-a]azepine-5,9(6H)-dione](/api/spectrum/IXkCN60QVqN/structure.png?h=300&w=458 "(S)-9a-(thiophen-2-ylmethyl)hexahydro-5H-pyrrolo[1,2-a]azepine-5,9(6H)-dione")
