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Phosphinic acid, phenyl[3,4,5-tris(1,1-dimethylethyl)-1,2-diazabicyclo[2.2.0]hexa-2,5- dien-6-yl]-, methyl ester
SpectraBase Compound ID 4h4NIBzO5no
InChI InChI=1S/C23H35N2O2P/c1-21(2,3)17-18(22(4,5)6)20(25-24-19(17)23(7,8)9)28(26,27-10)16-14-12-11-13-15-16/h11-15H,1-10H3
InChIKey OKXNUKFNKHAWPN-UHFFFAOYSA-N
Mol Weight 402.5 g/mol
Molecular Formula C23H35N2O2P
Exact Mass 402.243615 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cp67aBWVxNM
Name Phosphinic acid, phenyl[3,4,5-tris(1,1-dimethylethyl)-1,2-diazabicyclo[2.2.0]hexa-2,5- dien-6-yl]-, methyl ester
CAS Registry Number 89701-50-8
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H35N2O2P
InChI InChI=1S/C23H35N2O2P/c1-21(2,3)17-18(22(4,5)6)20(25-24-19(17)23(7,8)9)28(26,27-10)16-14-12-11-13-15-16/h11-15H,1-10H3
InChIKey OKXNUKFNKHAWPN-UHFFFAOYSA-N
Molecular Weight 402.519 g/mol
SMILES c1(P(=O)(c2ccccc2)OC)c(c(C(C)(C)C)c(nn1)C(C)(C)C)C(C)(C)C
SPLASH splash10-0a4j-0935000000-68c91cde1c28b06446af
Source of Spectrum K-117-452-0
Synonyms 1,2-Diazabicyclo[2.2.0]hexane, phosphinic acid deriv. 3,4,5-tri-tert-butyl-6-(methoxyphenylphosphoryl)pyridazine Methyl phenyl(4,5,6-tritert-butyl-3-pyridazinyl)phosphinate
Wiley ID 1370442