[(p-tert-Butyltetraoxygencalix[4]arene)dichloromolylbdenum] complex

SpectraBase Compound ID	GY6LrReWl47
InChI	InChI=1S/C44H56O4.2ClH.Mo/c1-41(2,3)33-17-27-13-25-23-36(45)24-26(37(25)44(10,11)12)14-28-18-34(42(4,5)6)20-30(39(28)47)16-32-22-35(43(7,8)9)21-31(40(32)48)15-29(19-33)38(27)46;;;/h17-24,45-48H,13-16H2,1-12H3;2*1H;/q;;;+6/p-6
InChIKey	KGQALJCMIQZNHH-UHFFFAOYSA-H Google Search
Mol Weight	811.8 g/mol
Molecular Formula	C44H52Cl2MoO4
Exact Mass	812.22967 g/mol

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SpectraBase Spectrum ID	DAsxzDIvNmz
Name	[(p-tert-Butyltetraoxygencalix[4]arene)dichloromolylbdenum] complex
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Formula	C44H52Cl2MoO4
InChI	InChI=1S/C44H56O4.2ClH.Mo/c1-41(2,3)33-17-27-13-25-23-36(45)24-26(37(25)44(10,11)12)14-28-18-34(42(4,5)6)20-30(39(28)47)16-32-22-35(43(7,8)9)21-31(40(32)48)15-29(19-33)38(27)46;;;/h17-24,45-48H,13-16H2,1-12H3;2*1H;/q;;;+6/p-6
InChIKey	KGQALJCMIQZNHH-UHFFFAOYSA-H
Molecular Weight	811.753 g/mol
SMILES	c12O[Mo]34(Oc5c6Cc1cc(cc2Cc1c(c(Cc2cc(cc(Cc5cc(c6)C(C)(C)C)c2C(C)(C)C)O4)cc(c1)C(C)(C)C)O3)C(C)(C)C)(Cl)Cl
SPLASH	splash10-03fr-0000000980-1e6658becf515c485e27
Source of Spectrum	QE-7-789-4
Wiley ID	845403