| SpectraBase Spectrum ID |
BL775F6YCvb |
| Name |
1,3-Benzenedimethanol, 2-bromo-5-(1,1-dimethylethyl)-.alpha.,.alpha.,.alpha.',.alpha.'-tetrakis(trifluoromethyl)- |
| Alternate Name(s) |
2-{2-bromo-5-tert-butyl-3-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl}-1,1,1,3,3,3-hexafluoro-2-propanol |
| CAS Registry Number |
101697-26-1 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H13BrF12O2 |
| InChI |
InChI=1S/C16H13BrF12O2/c1-10(2,3)6-4-7(11(30,13(18,19)20)14(21,22)23)9(17)8(5-6)12(31,15(24,25)26)16(27,28)29/h4-5,30-31H,1-3H3 |
| InChIKey |
RCCUEAROWLLEDQ-UHFFFAOYSA-N |
| Molecular Weight |
545.163 g/mol |
| SMILES |
OC(c1c(c(C(C(F)(F)F)(C(F)(F)F)O)cc(c1)C(C)(C)C)Br)(C(F)(F)F)C(F)(F)F |
| SPLASH |
splash10-003r-0000090000-8dc8974461af6b27e1f9 |
| Source of Spectrum |
C-108-3804-7 |
| Wiley ID |
1404982 |
