| SpectraBase Spectrum ID |
2WYqsfoyi4N |
| Name |
(S)-9a-(2-oxopropyl)hexahydro-5H-pyrrolo[1,2-a]azepine-5,9(6H)-dione |
| Appearance |
Colourless liquid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
223.120843408 u |
| Formula |
C12H17NO3 |
| InChI |
InChI=1S/C12H17NO3/c1-9(14)8-12-6-3-7-13(12)11(16)5-2-4-10(12)15/h2-8H2,1H3/t12-/m0/s1 |
| InChIKey |
IIGUMPUTZCOLMV-LBPRGKRZSA-N |
| Instrument Name |
Shimadzu GCMSQP2010SE |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202107909 |
| Molecular Weight |
223.272 g/mol |
| Optical Rotation |
[a]D29 = 98 (c = 0.5, CHCl3) |
| Quality |
166 |
| SMILES |
C1CCC(N2[C@@](C1=O)(CCC2)CC(=O)C)=O |
| SPLASH |
splash10-0a6r-6900000000-809221942939f06d1676 |
| Sample Comments |
83% ee |
| Source of Spectrum |
ACI-60-SM56-2p (DOI: 10.1002/anie.202107909) |
| Wiley ID |
1891362 |
![(S)-9a-(2-oxopropyl)hexahydro-5H-pyrrolo[1,2-a]azepine-5,9(6H)-dione](/api/spectrum/2WYqsfoyi4N/structure.png?h=300&w=458 "(S)-9a-(2-oxopropyl)hexahydro-5H-pyrrolo[1,2-a]azepine-5,9(6H)-dione")
