| SpectraBase Spectrum ID |
5NcgxQzCeKV |
| Name |
3-(hydroxymethyl)-3-indol-1-yl-1-methyl-indolin-2-one |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H16N2O2 |
| InChI |
InChI=1S/C18H16N2O2/c1-19-16-9-5-3-7-14(16)18(12-21,17(19)22)20-11-10-13-6-2-4-8-15(13)20/h2-11,21H,12H2,1H3 |
| InChIKey |
VRCXFQSIDQXTMV-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu GCMS-QP2010 or Agilent 5975C |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201910864 |
| Molecular Weight |
292.338 g/mol |
| Optical Rotation |
[a]24D = +80.1 (c = 0.3, CHCl3) |
| Reported Formula |
C18H16N2O2 |
| SMILES |
OCC1(C(N(C)c2c1cccc2)=O)[n]1ccc2ccccc12 |
| SPLASH |
splash10-01ot-0950000000-416eb56a2ca4abb9a5c9 |
| Sample Comments |
er = 91:9 |
| Source of Spectrum |
ACI-59-SM64-18 |
| Wiley ID |
1856825 |
