| SpectraBase Spectrum ID |
67hHFZoXxta |
| Name |
methyl (2S,3S)-3-nitro-2-phenyl-3,4-dihydro-1H-quinoline-2-carboxylate |
| Appearance |
Yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H16N2O4 |
| InChI |
InChI=1S/C17H16N2O4/c1-23-16(20)17(13-8-3-2-4-9-13)15(19(21)22)11-12-7-5-6-10-14(12)18-17/h2-10,15,18H,11H2,1H3/t15-,17-/m0/s1 |
| InChIKey |
ZCVXXGBBFJDSQN-RDJZCZTQSA-N |
| Instrument Name |
Shimadzu GCMS-QP2010 or Agilent 5975C |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201910864 |
| Molecular Weight |
312.325 g/mol |
| Optical Rotation |
[a]20D = +91.8 (c = 0.3, CHCl3) |
| Reported Formula |
C17H16N2O4 |
| SMILES |
N1c2c(C[C@@]([C@]1(C(=O)OC)c1ccccc1)([N+](=O)[O-])[H])cccc2 |
| SPLASH |
splash10-0a4i-0191000000-c1c397b946ff350355cf |
| Sample Comments |
dr > 20:1, er = 79:21 |
| Source of Spectrum |
ACI-59-SM31-9p |
| Wiley ID |
1856871 |
