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N-(3,6-dioxo-4-[propylamino]cyclohexa-1,4-dien-1-yl)acetamide
SpectraBase Compound ID Dk3jv9ktxrq
InChI InChI=1S/C11H14N2O3/c1-3-4-12-8-5-11(16)9(6-10(8)15)13-7(2)14/h5-6,12H,3-4H2,1-2H3,(H,13,14)
InChIKey WTNWZLLDGYONEI-UHFFFAOYSA-N
Mol Weight 222.24 g/mol
Molecular Formula C11H14N2O3
Exact Mass 222.100442 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JSsdaAL2dl6
Name N-(3,6-dioxo-4-[propylamino]cyclohexa-1,4-dien-1-yl)acetamide
Appearance Purple-color solid powder
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Formula C11H14N2O3
InChI InChI=1S/C11H14N2O3/c1-3-4-12-8-5-11(16)9(6-10(8)15)13-7(2)14/h5-6,12H,3-4H2,1-2H3,(H,13,14)
InChIKey WTNWZLLDGYONEI-UHFFFAOYSA-N
Instrument Name Agilent 5890-5972 or JOEL JMS SX/SX 102A
Ionization Type EI positive ion
Literature Reference DOI 10.1002/jccs.202000122
Molecular Weight 222.244 g/mol
Reported Formula C11H14N2O3
SMILES N(C(C)=O)C1=CC(C(=CC1=O)NCCC)=O
SPLASH splash10-0ul0-2930000000-d34dbae33010d9dc7b21
Source of Spectrum QA-67-SM31-4b
Wiley ID 1856313