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3-Methyl-5-(1-methylethyl)-4-(4-nitrophenyl)furan-2(5H)-one
SpectraBase Compound ID 4acAMT5cT0W
InChI InChI=1S/C14H15NO4/c1-8(2)13-12(9(3)14(16)19-13)10-4-6-11(7-5-10)15(17)18/h4-8,13H,1-3H3
InChIKey HMSYKXMBBIAJMD-UHFFFAOYSA-N
Mol Weight 261.28 g/mol
Molecular Formula C14H15NO4
Exact Mass 261.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A3Nu3JAk6XL
Name 3-Methyl-5-(1-methylethyl)-4-(4-nitrophenyl)furan-2(5H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15NO4
InChI InChI=1S/C14H15NO4/c1-8(2)13-12(9(3)14(16)19-13)10-4-6-11(7-5-10)15(17)18/h4-8,13H,1-3H3
InChIKey HMSYKXMBBIAJMD-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201000159
Molecular Weight 261.277 g/mol
SMILES C1(OC(C(=C1C)c1ccc(cc1)[N+](=O)[O-])C(C)C)=O
SPLASH splash10-014i-0390000000-d4592755d29b28e973ff
Source of Spectrum ASC-352-1307/SM16-4aa
Synonyms 5-Isopropyl-3-methyl-4-(4-nitrophenyl)furan-2(5H)-one
Wiley ID 1764488