| SpectraBase Spectrum ID |
IkrRPrfZY6G |
| Name |
(S)-9a-(benzo[d][1,3]dioxol-5-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 |
301.131408092 u |
| Formula |
C17H19NO4 |
| InChI |
InChI=1S/C17H19NO4/c19-15-3-1-4-16(20)18-8-2-7-17(15,18)10-12-5-6-13-14(9-12)22-11-21-13/h5-6,9H,1-4,7-8,10-11H2/t17-/m0/s1 |
| InChIKey |
QTNSIMIRCXFZRJ-KRWDZBQOSA-N |
| Instrument Name |
Shimadzu GCMSQP2010SE |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202107909 |
| Molecular Weight |
301.342 g/mol |
| Optical Rotation |
[a]D28 = 39 (c = 1.0, CHCl3) |
| Quality |
95 |
| SMILES |
C1CCC(N2[C@@](C1=O)(CCC2)CC1=CC2=C(C=C1)OCO2)=O |
| SPLASH |
splash10-000i-1900000000-4e8d0cefc256cca39ff9 |
| Sample Comments |
90% ee |
| Source of Spectrum |
ACI-60-SM49-2d (DOI: 10.1002/anie.202107909) |
| Wiley ID |
1891353 |
![(S)-9a-(benzo[d][1,3]dioxol-5-ylmethyl)hexahydro-5H-pyrrolo[1,2-a]azepine-5,9(6H)-dione](/api/spectrum/IkrRPrfZY6G/structure.png?h=300&w=458 "(S)-9a-(benzo[d][1,3]dioxol-5-ylmethyl)hexahydro-5H-pyrrolo[1,2-a]azepine-5,9(6H)-dione")
