| SpectraBase Spectrum ID |
B3IeCMpQSSe |
| Name |
4-Cyclohexyl-3-(4,4-dimethyl-4,5-dihydrooxazol-2-yl)-2-iodo-6-methoxybenzonitrile |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
438.080422987 u |
| Formula |
C19H23IN2O2 |
| InChI |
InChI=1S/C19H23IN2O2/c1-19(2)11-24-18(22-19)16-13(12-7-5-4-6-8-12)9-15(23-3)14(10-21)17(16)20/h9,12H,4-8,11H2,1-3H3 |
| InChIKey |
XGPONBPQHSDEBH-UHFFFAOYSA-N |
| Instrument Name |
FINNIGAN MAT 95Q or HEWLETT-PACKARD HP 6890-MSD 5973 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.202103700 |
| Molecular Weight |
438.309 g/mol |
| Quality |
63 |
| Reported Formula |
C19H23IN2O2 |
| SMILES |
C=1(C(=C(C(=CC1C1CCCCC1)OC)C#N)I)C=1OCC(C)(C)N1 |
| SPLASH |
splash10-0far-0009100000-5f6184aef5bd2db24bea |
| Source of Spectrum |
QE-28-SM92-13 (DOI: 10.1002/chem.202103700) |
| Wiley ID |
1898200 |
