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Diethyl ((5,7-di-tert-butyl-2-mercapto-2,3-dihydrobenzo[d]oxazol-2-yl)(methylthio)methyl)-phosphonate
SpectraBase Compound ID A557M0UMlGH
InChI InChI=1S/C21H36NO4PS2/c1-10-24-27(23,25-11-2)18(29-9)21(28)22-16-13-14(19(3,4)5)12-15(17(16)26-21)20(6,7)8/h12-13,18,22,28H,10-11H2,1-9H3
InChIKey ZBAVUTAEGYCSHR-UHFFFAOYSA-N
Mol Weight 461.6 g/mol
Molecular Formula C21H36NO4PS2
Exact Mass 461.182338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4UVodqrVphF
Name Diethyl ((5,7-di-tert-butyl-2-mercapto-2,3-dihydrobenzo[d]oxazol-2-yl)(methylthio)methyl)-phosphonate
Appearance Straw yellow oil
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Formula C21H36NO4PS2
InChI InChI=1S/C21H36NO4PS2/c1-10-24-27(23,25-11-2)18(29-9)21(28)22-16-13-14(19(3,4)5)12-15(17(16)26-21)20(6,7)8/h12-13,18,22,28H,10-11H2,1-9H3
InChIKey ZBAVUTAEGYCSHR-UHFFFAOYSA-N
Instrument Name MS-50 Kratos
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2655
Molecular Weight 461.616 g/mol
SMILES N1C(Oc2c1cc(C(C)(C)C)cc2C(C)(C)C)(S)C(P(OCC)(OCC)=O)SC
SPLASH splash10-0ik9-0590200000-cd3392be16f609cb5e54
Source of Spectrum Y-54-929-3d
Wiley ID 1877988