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Diethyl (2-amino-1-(5,7-di-tert-butyl-2-mercapto-2,3-dihydrobenzo[d]oxazol-2-yl)-2-thioxoethyl)phosphonate
SpectraBase Compound ID 3c4zRujKOSo
InChI InChI=1S/C21H35N2O4PS2/c1-9-25-28(24,26-10-2)17(18(22)29)21(30)23-15-12-13(19(3,4)5)11-14(16(15)27-21)20(6,7)8/h11-12,17,23,30H,9-10H2,1-8H3,(H2,22,29)
InChIKey ZNKSHTZHQPLNHJ-UHFFFAOYSA-N
Mol Weight 474.6 g/mol
Molecular Formula C21H35N2O4PS2
Exact Mass 474.177587 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 63J5zHw477e
Name Diethyl (2-amino-1-(5,7-di-tert-butyl-2-mercapto-2,3-dihydrobenzo[d]oxazol-2-yl)-2-thioxoethyl)phosphonate
Appearance Yellow substance
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H35N2O4PS2
InChI InChI=1S/C21H35N2O4PS2/c1-9-25-28(24,26-10-2)17(18(22)29)21(30)23-15-12-13(19(3,4)5)11-14(16(15)27-21)20(6,7)8/h11-12,17,23,30H,9-10H2,1-8H3,(H2,22,29)
InChIKey ZNKSHTZHQPLNHJ-UHFFFAOYSA-N
Instrument Name MS-50 Kratos
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2655
Molecular Weight 474.615 g/mol
SMILES N1C(C(C(N)=S)P(OCC)(OCC)=O)(Oc2c1cc(C(C)(C)C)cc2C(C)(C)C)S
SPLASH splash10-000i-0509200000-24fada2ab2572e543d2b
Source of Spectrum Y-54-929-3f
Wiley ID 1877990