| SpectraBase Spectrum ID |
ON8OEqVW4 |
| Name |
ethyl (S)-3-(5,9-dioxohexahydro-1H-pyrrolo[1,2-a]azepin-9a(5H)-yl)propanoate |
| Appearance |
Colourless liquid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
267.147058156 u |
| Formula |
C14H21NO4 |
| InChI |
InChI=1S/C14H21NO4/c1-2-19-13(18)7-9-14-8-4-10-15(14)12(17)6-3-5-11(14)16/h2-10H2,1H3/t14-/m0/s1 |
| InChIKey |
ITBCYNSYSDPASR-AWEZNQCLSA-N |
| Instrument Name |
Shimadzu GCMSQP2010SE |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202107909 |
| Molecular Weight |
267.325 g/mol |
| Optical Rotation |
[a]D29 = 82 (c = 1.0, CHCl3) |
| Quality |
129 |
| SMILES |
C1CCC(N2[C@@](C1=O)(CCC2)CCC(OCC)=O)=O |
| SPLASH |
splash10-059j-5900000000-863bf0c492d91fa1263f |
| Sample Comments |
85% ee |
| Source of Spectrum |
ACI-60-SM56-2o (DOI: 10.1002/anie.202107909) |
| Wiley ID |
1891361 |
![ethyl (S)-3-(5,9-dioxohexahydro-1H-pyrrolo[1,2-a]azepin-9a(5H)-yl)propanoate](/api/spectrum/ON8OEqVW4/structure.png?h=300&w=458 "ethyl (S)-3-(5,9-dioxohexahydro-1H-pyrrolo[1,2-a]azepin-9a(5H)-yl)propanoate")
