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Diethyl (cyano(5,7-di-tert-butyl-2-mercapto-2,3-dihydrobenzo[d]oxazol-2-yl)methyl)-phosphonate
SpectraBase Compound ID 5w94VIzAxyj
InChI InChI=1S/C21H33N2O4PS/c1-9-25-28(24,26-10-2)17(13-22)21(29)23-16-12-14(19(3,4)5)11-15(18(16)27-21)20(6,7)8/h11-12,17,23,29H,9-10H2,1-8H3
InChIKey SVXANOJNXOMNLI-UHFFFAOYSA-N
Mol Weight 440.5 g/mol
Molecular Formula C21H33N2O4PS
Exact Mass 440.189866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CmY1sZowM9n
Name Diethyl (cyano(5,7-di-tert-butyl-2-mercapto-2,3-dihydrobenzo[d]oxazol-2-yl)methyl)-phosphonate
Appearance Colorless substance
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H33N2O4PS
InChI InChI=1S/C21H33N2O4PS/c1-9-25-28(24,26-10-2)17(13-22)21(29)23-16-12-14(19(3,4)5)11-15(18(16)27-21)20(6,7)8/h11-12,17,23,29H,9-10H2,1-8H3
InChIKey SVXANOJNXOMNLI-UHFFFAOYSA-N
Instrument Name MS-50 Kratos
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2655
Molecular Weight 440.539 g/mol
SMILES N1C(Oc2c1cc(C(C)(C)C)cc2C(C)(C)C)(S)C(P(OCC)(OCC)=O)C#N
SPLASH splash10-0udr-0509100000-9ab453cb53f8b44e8651
Source of Spectrum Y-54-930-3g
Wiley ID 1877991