| SpectraBase Spectrum ID |
8PeL7S8C8Iu |
| Name |
3-(4-Oxochroman-2-yl)propanenitrile |
| Appearance |
Yellowish crystals |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
201.078978596 u |
| Formula |
C12H11NO2 |
| InChI |
InChI=1S/C12H11NO2/c13-7-3-4-9-8-11(14)10-5-1-2-6-12(10)15-9/h1-2,5-6,9H,3-4,8H2 |
| InChIKey |
BBMBXLPIAXQTBB-UHFFFAOYSA-N |
| Instrument Name |
Thermo Finnigan TSQ 700 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201405852 |
| Molecular Weight |
201.225 g/mol |
| Quality |
106 |
| Reported Formula |
C12H11NO2 |
| SMILES |
C1(=O)CC(OC2=C1C=CC=C2)CCC#N |
| SPLASH |
splash10-00di-1940000000-9ba7673edec33d6c8318 |
| Source of Spectrum |
QE-21-SM20-20 (DOI: 10.1002/chem.201405852) |
| Thin-Layer Chromatography |
0.40 (cyclohexane/EtOAc, 1:1) |
| Wiley ID |
1907591 |
