| SpectraBase Spectrum ID |
FhPLiFlqReB |
| Name |
tert-butyl (3R)-3-buta-2,3-dienyl-3-(4-chloro-2-methyl-phenyl)-2-oxo-indoline-1-carboxylate |
| Appearance |
Oily liquid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
409.144471334 u |
| Formula |
C24H24ClNO3 |
| InChI |
InChI=1S/C24H24ClNO3/c1-6-7-14-24(18-13-12-17(25)15-16(18)2)19-10-8-9-11-20(19)26(21(24)27)22(28)29-23(3,4)5/h7-13,15H,1,14H2,2-5H3/t24-/m1/s1 |
| InChIKey |
YBBRUETWZDWPBU-XMMPIXPASA-N |
| Ionization Type |
EI |
| Molecular Weight |
409.913 g/mol |
| Optical Rotation |
[a]D23 = -53.81 (c = 1.00, CHCl3) |
| Quality |
13 |
| Reported Formula |
C24H24ClNO3 |
| SMILES |
C1=CC2=C(C=C1)N(C([C@]2(CC=C=C)C1=C(C=C(C=C1)Cl)C)=O)C(OC(C)(C)C)=O |
| SPLASH |
splash10-0a4i-9000000000-3f979a5a82ec557199d2 |
| Sample Comments |
87% ee |
| Source of Spectrum |
WO2021212974A1 |
| Wiley ID |
1897074 |
