(S)-5-Benzyl-2-mesityl-6,6-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-2-ium tetrafluoroborate

Catalog Number	ACM925706407-1
CAS	925706-40-7
Structure
Synonyms	(5S)-5-Benzyl-6,6-dimethyl-2-(2,4,6-trimethylphenyl)-5,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazin-4-ium tetrafluoroborate
IUPAC Name	(5S)-5-benzyl-6,6-dimethyl-2-(2,4,6-trimethylphenyl)-5,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazin-4-ium;tetrafluoroborate
Molecular Weight	449.29
Molecular Formula	C23H28BF4N3O
Canonical SMILES	[B-](F)(F)(F)F.CC1=CC(=C(C(=C1)C)N2C=[N+]3C(C(OCC3=N2)(C)C)CC4=CC=CC=C4)C
InChI	PVYSZYZMWZCJCT-BDQAORGHSA-N
InChI Key	InChI=1S/C23H28N3O.BF4/c1-16-11-17(2)22(18(3)12-16)26-15-25-20(13-19-9-7-6-8-10-19)23(4,5)27-14-21(25)24-26;2-1(3,4)5/h6-12,15,20H,13-14H2,1-5H3;/q+1;-1/t20-;/m0./s1
Melting Point	200-206 °C
Purity	97%
Exact Mass	449.22600
Isomeric SMILES	[B-](F)(F)(F)F.CC1=CC(=C(C(=C1)C)N2C=[N+]3[C@H](C(OCC3=N2)(C)C)CC4=CC=CC=C4)C