| SpectraBase Spectrum ID |
KqgJqZDi4wm |
| Name |
(2R,3S)-5'-methoxy-1'-methyl-3-nitro-spiro[3,4-dihydro-1H-quinoline-2,3'-indoline]-2'-one |
| Appearance |
Yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H17N3O4 |
| InChI |
InChI=1S/C18H17N3O4/c1-20-15-8-7-12(25-2)10-13(15)18(17(20)22)16(21(23)24)9-11-5-3-4-6-14(11)19-18/h3-8,10,16,19H,9H2,1-2H3/t16-,18+/m0/s1 |
| InChIKey |
VPTFTUHPMUNVHQ-FUHWJXTLSA-N |
| Instrument Name |
Shimadzu GCMS-QP2010 or Agilent 5975C |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201910864 |
| Molecular Weight |
339.351 g/mol |
| Optical Rotation |
[a]26D = -319.8 (c = 0.3, CHCl3) |
| Reported Formula |
C18H17N3O4 |
| SMILES |
N1c2ccccc2C[C@@]([C@@]11c2cc(OC)ccc2N(C1=O)C)([N+]([O-])=O)[H] |
| SPLASH |
splash10-014i-0090000000-eceb627ea27dcd28ff7a |
| Sample Comments |
dr = 3.6:1, er = 96:4 |
| Source of Spectrum |
ACI-59-SM28-5f |
| Wiley ID |
1856854 |
![(2R,3S)-5'-methoxy-1'-methyl-3-nitro-spiro[3,4-dihydro-1H-quinoline-2,3'-indoline]-2'-one](/api/spectrum/KqgJqZDi4wm/structure.png?h=300&w=458 "(2R,3S)-5'-methoxy-1'-methyl-3-nitro-spiro[3,4-dihydro-1H-quinoline-2,3'-indoline]-2'-one")
