[mn-(H2)-(co)-(Dppe)(2)]-[B-[(C6H3(3,5-CF3)(2)]](4)

SpectraBase Compound ID	3WOTfGoLisX
InChI	InChI=1S/C32H12BF24.C26H24P2.CO.Mn.H2/c34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-2;;/h1-12H;1-20H,21-22H2;;;1H/q-1;;;-1;/p+2
InChIKey	DGSQCTVWGJOCQV-UHFFFAOYSA-P Google Search
Mol Weight	1348.63 g/mol
Molecular Formula	C59H40BF24MnOP2
Exact Mass	1348.164464 g/mol

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SpectraBase Spectrum ID	13KUNwWAckg
Name	[mn-(H2)-(co)-(Dppe)(2)]-[B-[(C6H3(3,5-CF3)(2)]](4)
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	1348.164463985 u
Formula	C59H40BF24MnOP2
InChI	InChI=1S/C32H12BF24.C26H24P2.CO.Mn.H2/c34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-2;;/h1-12H;1-20H,21-22H2;;;1H/q-1;;;-1;/p+2
InChIKey	DGSQCTVWGJOCQV-UHFFFAOYSA-P
Molecular Weight	1348.625 g/mol
Nominal Mass	1348 u
SMILES	C1([B-](C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)(C=2C=C(C=C(C2)C(F)(F)F)C(F)(F)F)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)=CC(=CC(=C1)C(F)(F)F)C(F)(F)F.C1([PH]2(C3=CC=CC=C3)CC[PH](C3=CC=CC=C3)(C3=CC=CC=C3)[Mn+]22(C#[O])[H][H]2)=CC=CC=C1