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Diethyl (1-(5,7-di-tert-butyl-2-mercapto-2,3-dihydrobenzo[d]oxazol-2-yl)-2-oxopropyl)-phosphonate
SpectraBase Compound ID LK6CLnWDzpC
InChI InChI=1S/C22H36NO5PS/c1-10-26-29(25,27-11-2)19(14(3)24)22(30)23-17-13-15(20(4,5)6)12-16(18(17)28-22)21(7,8)9/h12-13,19,23,30H,10-11H2,1-9H3
InChIKey KBJHAGCHZIUXSS-UHFFFAOYSA-N
Mol Weight 457.6 g/mol
Molecular Formula C22H36NO5PS
Exact Mass 457.205181 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8wBXZ5nsRBj
Name Diethyl (1-(5,7-di-tert-butyl-2-mercapto-2,3-dihydrobenzo[d]oxazol-2-yl)-2-oxopropyl)-phosphonate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H36NO5PS
InChI InChI=1S/C22H36NO5PS/c1-10-26-29(25,27-11-2)19(14(3)24)22(30)23-17-13-15(20(4,5)6)12-16(18(17)28-22)21(7,8)9/h12-13,19,23,30H,10-11H2,1-9H3
InChIKey KBJHAGCHZIUXSS-UHFFFAOYSA-N
Instrument Name MS-50 Kratos
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2655
Molecular Weight 457.566 g/mol
SMILES SC1(Oc2c(cc(cc2N1)C(C)(C)C)C(C)(C)C)C(P(OCC)(OCC)=O)C(C)=O
SPLASH splash10-0ik9-0490200000-ad4c38779604ff6b9924
Source of Spectrum Y-54-929-3c
Wiley ID 1877987