| SpectraBase Spectrum ID |
LwN3JNABKXO |
| Name |
3-((4-Bromophenyl)(hydroxy)(phenyl)methyl)-4-fluorobenzonitrile |
| Appearance |
White crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
381.016455205 u |
| Formula |
C20H13BrFNO |
| InChI |
InChI=1S/C20H13BrFNO/c21-17-9-7-16(8-10-17)20(24,15-4-2-1-3-5-15)18-12-14(13-23)6-11-19(18)22/h1-12,24H |
| InChIKey |
HBXWNMKBGYZZJQ-UHFFFAOYSA-N |
| Instrument Name |
Finnigan MAT95Q or Finnigan MAT90 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201803961 |
| Molecular Weight |
382.232 g/mol |
| Quality |
168 |
| Reported Formula |
C20H13BrFNO |
| SMILES |
OC(C=1C=C(C=CC1F)C#N)(C1=CC=C(C=C1)Br)C1=CC=CC=C1 |
| SPLASH |
splash10-052b-0940000000-6f52a07a829f1a96b89c |
| Source of Spectrum |
ACI-57-SM35-9b (DOI: 10.1002/anie.201803961) |
| Wiley ID |
1893260 |
