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Tetraethyl (5,7-di-tert-butyl-2-(4-fluorophenyl)-2,3-dihydrobenzo[d]oxazol-2-yl)methylenediphosphonate
SpectraBase Compound ID 4WfnT6SPPjx
InChI InChI=1S/C30H46FNO7P2/c1-11-35-40(33,36-12-2)27(41(34,37-13-3)38-14-4)30(21-15-17-23(31)18-16-21)32-25-20-22(28(5,6)7)19-24(26(25)39-30)29(8,9)10/h15-20,27,32H,11-14H2,1-10H3
InChIKey FDNYLIUIKMIWTK-UHFFFAOYSA-N
Mol Weight 613.6 g/mol
Molecular Formula C30H46FNO7P2
Exact Mass 613.273355 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A19htdtIm
Name Tetraethyl (5,7-di-tert-butyl-2-(4-fluorophenyl)-2,3-dihydrobenzo[d]oxazol-2-yl)methylenediphosphonate
Alternate Name(s) Tetraethyl ((5,7-di-tert-butyl-2-(4-fluorophenyl)-2,3-dihydrobenzo[d]oxazol-2-yl)methylene)bis(phosphonate)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H46FNO7P2
InChI InChI=1S/C30H46FNO7P2/c1-11-35-40(33,36-12-2)27(41(34,37-13-3)38-14-4)30(21-15-17-23(31)18-16-21)32-25-20-22(28(5,6)7)19-24(26(25)39-30)29(8,9)10/h15-20,27,32H,11-14H2,1-10H3
InChIKey FDNYLIUIKMIWTK-UHFFFAOYSA-N
Molecular Weight 613.644 g/mol
SMILES N1c2cc(cc(c2OC1(C(P(=O)(OCC)OCC)P(=O)(OCC)OCC)c1ccc(cc1)F)C(C)(C)C)C(C)(C)C
SPLASH splash10-0a73-5219062000-d1752862e167b8eaddca
Source of Spectrum EMC-57-368-7c
Wiley ID 1735196