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2,2,3-trimethyl-3-nitro-1-(4-nitrophenyl)-1-butanone
SpectraBase Compound ID 5UR9m7LWqm6
InChI InChI=1S/C13H16N2O5/c1-12(2,13(3,4)15(19)20)11(16)9-5-7-10(8-6-9)14(17)18/h5-8H,1-4H3
InChIKey PSKLGYPDXFCOBS-UHFFFAOYSA-N
Mol Weight 280.28 g/mol
Molecular Formula C13H16N2O5
Exact Mass 280.105922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FZHckDYm2hy
Name 2,2,3-trimethyl-3-nitro-1-(4-nitrophenyl)-1-butanone
CAS Registry Number 72511-02-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16N2O5
InChI InChI=1S/C13H16N2O5/c1-12(2,13(3,4)15(19)20)11(16)9-5-7-10(8-6-9)14(17)18/h5-8H,1-4H3
InChIKey PSKLGYPDXFCOBS-UHFFFAOYSA-N
Molecular Weight 280.280 g/mol
SMILES C(C(N(=O)=O)(C)C)(C(c1ccc(N(=O)=O)cc1)=O)(C)C
SPLASH splash10-0ue9-8900000000-22b5ce27ebcc7b287ec8
Source of Spectrum B-32-1500-0
Synonyms 2,2,3-trimethyl-3-nitro-1-(4-nitrophenyl)butan-1-one
Wiley ID 1283522