| SpectraBase Spectrum ID |
7W1aQpazq2u |
| Name |
methyl (2S,3S)-2-(4-chlorophenyl)-3-nitro-3,4-dihydro-1H-quinoline-2-carboxylate |
| Appearance |
Yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H15ClN2O4 |
| InChI |
InChI=1S/C17H15ClN2O4/c1-24-16(21)17(12-6-8-13(18)9-7-12)15(20(22)23)10-11-4-2-3-5-14(11)19-17/h2-9,15,19H,10H2,1H3/t15-,17-/m0/s1 |
| InChIKey |
JUKOLGKKUQZJGU-RDJZCZTQSA-N |
| Instrument Name |
Shimadzu GCMS-QP2010 or Agilent 5975C |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201910864 |
| Molecular Weight |
346.770 g/mol |
| Optical Rotation |
[a]20D = +100.4 (c = 0.3, CHCl3) |
| Reported Formula |
C17H15N2O4(35)Cl |
| SMILES |
N1[C@]([C@](Cc2c1cccc2)([N+]([O-])=O)[H])(c1ccc(cc1)Cl)C(OC)=O |
| SPLASH |
splash10-0006-0191000000-5a3df2b62718e6e3e05a |
| Sample Comments |
dr > 20:1, er = 93:7 |
| Source of Spectrum |
ACI-59-SM31-9g |
| Wiley ID |
1856870 |
