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Diethyl ((4-chlorophenyl)(5,7-di-tert-butyl-2-mercapto-2,3-dihydrobenzo[d]oxazol-2-yl)methyl)-phosphonate
SpectraBase Compound ID JMq03Lh7oi4
InChI InChI=1S/C26H37ClNO4PS/c1-9-30-33(29,31-10-2)23(17-11-13-19(27)14-12-17)26(34)28-21-16-18(24(3,4)5)15-20(22(21)32-26)25(6,7)8/h11-16,23,28,34H,9-10H2,1-8H3
InChIKey NKCLTCFYSUGUOD-UHFFFAOYSA-N
Mol Weight 526.1 g/mol
Molecular Formula C26H37ClNO4PS
Exact Mass 525.186945 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EnJLh0P1Bum
Name Diethyl ((4-chlorophenyl)(5,7-di-tert-butyl-2-mercapto-2,3-dihydrobenzo[d]oxazol-2-yl)methyl)-phosphonate
Appearance Yellow substance
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Formula C26H37ClNO4PS
InChI InChI=1S/C26H37ClNO4PS/c1-9-30-33(29,31-10-2)23(17-11-13-19(27)14-12-17)26(34)28-21-16-18(24(3,4)5)15-20(22(21)32-26)25(6,7)8/h11-16,23,28,34H,9-10H2,1-8H3
InChIKey NKCLTCFYSUGUOD-UHFFFAOYSA-N
Instrument Name MS-50 Kratos
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2655
Molecular Weight 526.072 g/mol
SMILES N1C(Oc2c1cc(C(C)(C)C)cc2C(C)(C)C)(S)C(P(OCC)(OCC)=O)c1ccc(cc1)Cl
SPLASH splash10-000i-0509050000-711019a698863ee0cca9
Source of Spectrum Y-54-930-3i
Wiley ID 1877993