| SpectraBase Spectrum ID |
77A5huuVN1O |
| Name |
4,4-Difluoro-8-(3-chloro-4-hydroxyphenyl)-3,5-dimethyl-4-bora-3a,4a-diaza-s-indacene |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H14BClF2N2O |
| InChI |
InChI=1S/C17H14BClF2N2O/c1-10-3-6-14-17(12-5-8-16(24)13(19)9-12)15-7-4-11(2)23(15)18(20,21)22(10)14/h3-9,24H,1-2H3 |
| InChIKey |
HRHHIZPIZQWKOP-UHFFFAOYSA-N |
| Molecular Weight |
346.572 g/mol |
| SMILES |
Oc1ccc(C=2c3[n]([B]([N]=4C2C=CC4C)(F)F)c(cc3)C)cc1Cl |
| SPLASH |
splash10-004j-0009000000-580692082d3027ec1b89 |
| Source of Spectrum |
F-70-4157-5 |
| Synonyms |
2-chloro-4-(2,2-difluoro-4,12-dimethyl-1,3-diaza-2-boratricyclo[7.3.0.0(3,7)]dodeca-1(12),4,6,8,10-pentaen-8-yl)phenol |
| Wiley ID |
1596916 |
