| SpectraBase Spectrum ID |
KV66MMk1cmc |
| Name |
3-(2-Oxochroman-4-yl)propanenitrile |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
201.078978596 u |
| Formula |
C12H11NO2 |
| InChI |
InChI=1S/C12H11NO2/c13-7-3-4-9-8-12(14)15-11-6-2-1-5-10(9)11/h1-2,5-6,9H,3-4,8H2 |
| InChIKey |
XVDGTTCQMDEOKQ-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 |
79 |
| Reported Formula |
C12H11O2N |
| SMILES |
C1(=O)OC2=C(C(C1)CCC#N)C=CC=C2 |
| SPLASH |
splash10-0f6t-0920000000-e724e8addf58c67175c5 |
| Source of Spectrum |
QE-21-SM21-22 (DOI: 10.1002/chem.201405852) |
| Thin-Layer Chromatography |
0.36 (n-pentane/Et2O, 1:1) |
| Wiley ID |
1907593 |
