| SpectraBase Spectrum ID |
19GTCB3RTcu |
| Name |
(R)-9a-ethylhexahydro-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 |
195.125928789 u |
| Formula |
C11H17NO2 |
| InChI |
InChI=1S/C11H17NO2/c1-2-11-7-4-8-12(11)10(14)6-3-5-9(11)13/h2-8H2,1H3/t11-/m1/s1 |
| InChIKey |
HINDDWPUKYMFKM-LLVKDONJSA-N |
| Instrument Name |
Shimadzu GCMSQP2010SE |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202107909 |
| Molecular Weight |
195.262 g/mol |
| Optical Rotation |
[a]D20 = 104 (c = 1.0, CHCl3) |
| Quality |
231 |
| SMILES |
C1CCC(N2[C@@](C1=O)(CCC2)CC)=O |
| SPLASH |
splash10-0aba-9200000000-421131ceb03fe9362fab |
| Sample Comments |
77% ee |
| Source of Spectrum |
ACI-60-SM54-2l (DOI: 10.1002/anie.202107909) |
| Wiley ID |
1891359 |
![(R)-9a-ethylhexahydro-5H-pyrrolo[1,2-a]azepine-5,9(6H)-dione](/api/spectrum/19GTCB3RTcu/structure.png?h=300&w=458 "(R)-9a-ethylhexahydro-5H-pyrrolo[1,2-a]azepine-5,9(6H)-dione")
