| SpectraBase Spectrum ID |
8lBsuZ8REub |
| Name |
anti-3-(7-Isopropoxy-4-oxo-3-phenylchroman-2-yl)propanenitrile |
| Appearance |
Yellowish sticky oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
335.152143537 u |
| Formula |
C21H21NO3 |
| InChI |
InChI=1S/C21H21NO3/c1-14(2)24-16-10-11-17-19(13-16)25-18(9-6-12-22)20(21(17)23)15-7-4-3-5-8-15/h3-5,7-8,10-11,13-14,18,20H,6,9H2,1-2H3/t18-,20-/m0/s1 |
| InChIKey |
XRQCWVQTYGEDDZ-ICSRJNTNSA-N |
| Instrument Name |
Thermo Finnigan TSQ 700 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201405852 |
| Molecular Weight |
335.403 g/mol |
| Quality |
66 |
| Reported Formula |
C21H21NO3 |
| SMILES |
C=1([C@]2([C@@](OC3=C(C2=O)C=CC(=C3)OC(C)C)(CCC#N)[H])[H])C=CC=CC1 |
| SPLASH |
splash10-002r-0901000000-f139d69d6ca0609f7113 |
| Source of Spectrum |
QE-21-SM20-19 (DOI: 10.1002/chem.201405852) |
| Thin-Layer Chromatography |
0.23 (cyclohexane/Et2O, 1:1) |
| Wiley ID |
1907590 |
