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2H-1,4-benzoxazine-2-carboxamide, N-(2-chlorophenyl)-3-(1,1-dimethylethyl)-7-nitro-
SpectraBase Compound ID Hkel6pyKSEL
InChI InChI=1S/C19H18ClN3O4/c1-19(2,3)17-16(18(24)22-13-7-5-4-6-12(13)20)27-15-10-11(23(25)26)8-9-14(15)21-17/h4-10,16H,1-3H3,(H,22,24)
InChIKey KJOBPMXXAUMMTG-UHFFFAOYSA-N
Mol Weight 387.82 g/mol
Molecular Formula C19H18ClN3O4
Exact Mass 387.098584 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AwgQ9PqsrIT
Name 2H-1,4-benzoxazine-2-carboxamide, N-(2-chlorophenyl)-3-(1,1-dimethylethyl)-7-nitro-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18ClN3O4
InChI InChI=1S/C19H18ClN3O4/c1-19(2,3)17-16(18(24)22-13-7-5-4-6-12(13)20)27-15-10-11(23(25)26)8-9-14(15)21-17/h4-10,16H,1-3H3,(H,22,24)
InChIKey KJOBPMXXAUMMTG-UHFFFAOYSA-N
Molecular Weight 387.823 g/mol
SMILES N(C(C1C(C(C)(C)C)=Nc2ccc(cc2O1)[N+]([O-])=O)=O)c1ccccc1Cl
SPLASH splash10-0f96-9520000000-bd27fffe0afab7c7ea88
Source of Spectrum JX-2015-3-1811
Synonyms 3-(tert-butyl)-N-(2-chlorophenyl)-7-nitro-2H-benzo[b][1,4]oxazine-2-carboxamide 3-Tert-butyl-N-(2-chlorophenyl)-7-nitro-2H-1,4-benzoxazine-2-carboxamide
Wiley ID 1725279