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Methyl 2-(5,7-di-tert-butyl-2-mercapto-2,3-dihydrobenzo[d]oxazol-2-yl)-2-(diethoxy-phosphoryl)acetate
SpectraBase Compound ID Kw7QJJcROAD
InChI InChI=1S/C22H36NO6PS/c1-10-27-30(25,28-11-2)18(19(24)26-9)22(31)23-16-13-14(20(3,4)5)12-15(17(16)29-22)21(6,7)8/h12-13,18,23,31H,10-11H2,1-9H3
InChIKey NFUUWHMGYUQZGS-UHFFFAOYSA-N
Mol Weight 473.6 g/mol
Molecular Formula C22H36NO6PS
Exact Mass 473.200096 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Id7266dndCF
Name Methyl 2-(5,7-di-tert-butyl-2-mercapto-2,3-dihydrobenzo[d]oxazol-2-yl)-2-(diethoxy-phosphoryl)acetate
Appearance Colorless oil
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Formula C22H36NO6PS
InChI InChI=1S/C22H36NO6PS/c1-10-27-30(25,28-11-2)18(19(24)26-9)22(31)23-16-13-14(20(3,4)5)12-15(17(16)29-22)21(6,7)8/h12-13,18,23,31H,10-11H2,1-9H3
InChIKey NFUUWHMGYUQZGS-UHFFFAOYSA-N
Instrument Name MS-50 Kratos
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2655
Molecular Weight 473.565 g/mol
SMILES SC1(Oc2c(cc(cc2N1)C(C)(C)C)C(C)(C)C)C(P(OCC)(OCC)=O)C(OC)=O
SPLASH splash10-0ik9-0490100000-5360ac730bef8e1f96ee
Source of Spectrum Y-54-928-3a
Wiley ID 1877985