| SpectraBase Spectrum ID |
1OWEjddMLQn |
| Name |
4-(Cyclopropyl(4-fluorophenyl)(hydroxy)methyl)-2-fluorobenzonitrile |
| Appearance |
Colorless crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
285.096520368 u |
| Formula |
C17H13F2NO |
| InChI |
InChI=1S/C17H13F2NO/c18-15-7-5-13(6-8-15)17(21,12-3-4-12)14-2-1-11(10-20)16(19)9-14/h1-2,5-9,12,21H,3-4H2 |
| InChIKey |
HJJNAMPMPFRJCH-UHFFFAOYSA-N |
| Instrument Name |
Finnigan MAT95Q or Finnigan MAT90 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201706609 |
| Molecular Weight |
285.294 g/mol |
| Quality |
16 |
| Reported Formula |
C17H13F2NO |
| SMILES |
OC(C=1C=C(C(=CC1)C#N)F)(C1=CC=C(C=C1)F)C1CC1 |
| SPLASH |
splash10-0a4j-0890000000-cc913864cd7fc6305dc1 |
| Source of Spectrum |
ACI-56-SM11-4f (DOI: 10.1002/anie.201706609) |
| Wiley ID |
1896394 |
