N-(2-{3,4-Bis[(4-methylbenzoyl)oxy]phenyl}-2-oxoethyl)-2-methyl-2-propanaminium trifluoroacetate
[CAS# 94107-63-8]

Identification

• Name: N-(2-{3,4-Bis[(4-methylbenzoyl)oxy]phenyl}-2-oxoethyl)-2-methyl-2-propanaminium trifluoroacetate
• Synonyms: (tert-butyl)[β-oxo-3,4-bis(p-toluoyloxy)phenethyl]ammonium trifluoroacetate
• Molecular Formula: C₃₀H₃₀F₃NO₇
• Molecular Weight: 573.56
• CAS Registry Number: 94107-63-8
• EINECS: 302-297-5
• SMILES: O=C(Oc2cc(ccc2OC(=O)c1ccc(C)cc1)C(=O)C[NH2+]C(C)(C)C)c3ccc(C)cc3.FC(F)(F)C([O-])=O
• InChI: 1S/C28H29NO5.C2HF3O2/c1-18-6-10-20(11-7-18)26(31)33-24-15-14-22(23(30)17-29-28(3,4)5)16-25(24)34-27(32)21-12-8-19(2)9-13-21;3-2(4,5)1(6)7/h6-16,29H,17H2,1-5H3;(H,6,7)
• InChIKey: TUINJTHHEYURGI-UHFFFAOYSA-N

Properties

• Boiling point: 725°C at 760 mmHg (Cal.)
• Flash point: 392.3°C (Cal.)