| SpectraBase Spectrum ID |
A7XvNfO5UDy |
| Name |
2-(5-Bromo-3-chloro-2-fluorophenyl)adamantan-2-ol |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
358.013534029 u |
| Formula |
C16H17BrClFO |
| InChI |
InChI=1S/C16H17BrClFO/c17-12-6-13(15(19)14(18)7-12)16(20)10-2-8-1-9(4-10)5-11(16)3-8/h6-11,20H,1-5H2/t8-,9+,10-,11+,16- |
| InChIKey |
KGHZQDKHTSRLEY-QBQNSPBZSA-N |
| Instrument Name |
Finnigan MAT95Q or Finnigan MAT90 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201803961 |
| Molecular Weight |
359.666 g/mol |
| Quality |
715 |
| Reported Formula |
C16H17BrClFO |
| SMILES |
OC1([C@]2(C[C@@]3(C[C@@](C[C@]1(C3)[H])(C2)[H])[H])[H])C1=C(C(=CC(=C1)Br)Cl)F |
| SPLASH |
splash10-0036-9331000000-5e1caf673ed32a0f018f |
| Source of Spectrum |
ACI-57-SM33-6l (DOI: 10.1002/anie.201803961) |
| Wiley ID |
1893258 |
