| SpectraBase Spectrum ID |
LWDvWYVE2r6 |
| Name |
(3R)-6-bromo-3-buta-2,3-dienyl-3-(o-tolyl)indolin-2-one |
| Appearance |
Oily liquid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
353.041527138 u |
| Formula |
C19H16BrNO |
| InChI |
InChI=1S/C19H16BrNO/c1-3-4-11-19(15-8-6-5-7-13(15)2)16-10-9-14(20)12-17(16)21-18(19)22/h4-10,12H,1,11H2,2H3,(H,21,22)/t19-/m1/s1 |
| InChIKey |
MYWSASRCFUPTNE-LJQANCHMSA-N |
| Ionization Type |
EI |
| Molecular Weight |
354.247 g/mol |
| Optical Rotation |
[a]D28 = -34.26 (c = 1.13, CHCl3) |
| Reported Formula |
C19H16(79)BrNO |
| SMILES |
N1C([C@](C2=C1C=C(C=C2)Br)(CC=C=C)C1=C(C=CC=C1)C)=O |
| SPLASH |
splash10-00di-0090000000-8acebdbff98eaff61480 |
| Sample Comments |
92% ee |
| Source of Spectrum |
WO2021212974A1 |
| Wiley ID |
1897079 |
