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1-(3-Nitrophenyl)-3-[2-(1-hydroxy-4-methylphenyl)]propane-1,3-dione
SpectraBase Compound ID 7MWRCEtcNVz
InChI InChI=1S/C16H13NO5/c1-10-5-6-14(18)13(7-10)16(20)9-15(19)11-3-2-4-12(8-11)17(21)22/h2-8,18H,9H2,1H3
InChIKey NQZXKEBPWSNZMJ-UHFFFAOYSA-N
Mol Weight 299.28 g/mol
Molecular Formula C16H13NO5
Exact Mass 299.079373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H8GTHvoSCAt
Name 1-(3-Nitrophenyl)-3-[2-(1-hydroxy-4-methylphenyl)]propane-1,3-dione
Alternate Name(s) 1-(2-hydroxy-5-methylphenyl)-3-(3-nitrophenyl)propane-1,3-dione 1-(5-Methyl-2-oxidanyl-phenyl)-3-(3-nitrophenyl)propane-1,3-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13NO5
InChI InChI=1S/C16H13NO5/c1-10-5-6-14(18)13(7-10)16(20)9-15(19)11-3-2-4-12(8-11)17(21)22/h2-8,18H,9H2,1H3
InChIKey NQZXKEBPWSNZMJ-UHFFFAOYSA-N
Molecular Weight 299.282 g/mol
SMILES Oc1c(C(CC(c2cc(N(=O)=O)ccc2)=O)=O)cc(cc1)C
SPLASH splash10-0f7k-0971000000-abad0a04d1ceb112344e
Source of Spectrum F2-4-4349-0
Wiley ID 1600472