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4-(RS)/6-(RS)-METHYL-[6-(3,5-DINITROBENZOYLOXYMETHYL)-2-PHENYL-4-TRIFLUOROMETHYL-5,6-DIHYDRO-4H-1,3-OXAZINE]-4-CARBOXYLATE

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4-(RS)/6-(RS)-METHYL-[6-(3,5-DINITROBENZOYLOXYMETHYL)-2-PHENYL-4-TRIFLUOROMETHYL-5,6-DIHYDRO-4H-1,3-OXAZINE]-4-CARBOXYLATE
SpectraBase Compound ID 4LLT9QRN1VQ
InChI InChI=1S/C21H16F3N3O9/c1-34-19(29)20(21(22,23)24)10-16(36-17(25-20)12-5-3-2-4-6-12)11-35-18(28)13-7-14(26(30)31)9-15(8-13)27(32)33/h2-9,16H,10-11H2,1H3/t16-,20-/m0/s1
InChIKey PCTGRERGUMXLOR-JXFKEZNVSA-N
Mol Weight 511.37 g/mol
Molecular Formula C21H16F3N3O9
Exact Mass 511.083864 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CeQ40r5KiK8
Name 4-(RS)/6-(RS)-METHYL-[6-(3,5-DINITROBENZOYLOXYMETHYL)-2-PHENYL-4-TRIFLUOROMETHYL-5,6-DIHYDRO-4H-1,3-OXAZINE]-4-CARBOXYLATE
Compound Number 6/1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H16F3N3O9
InChI InChI=1S/C21H16F3N3O9/c1-34-19(29)20(21(22,23)24)10-16(36-17(25-20)12-5-3-2-4-6-12)11-35-18(28)13-7-14(26(30)31)9-15(8-13)27(32)33/h2-9,16H,10-11H2,1H3/t16-,20-/m0/s1
InChIKey PCTGRERGUMXLOR-JXFKEZNVSA-N
Literature Reference Author K.BURGER,K.MUETZE,S.N.OSIPOV,P.TSOUKER,A.SCHIER
Literature Reference Citation MH.CHEM.,134,69(2003)
Literature Reference DOI 10.1007/s00706-002-0521-8
Molecular Weight 511.368 g/mol
Solvent CDCl3
Source File Reference UWKP4302