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6-(4-nitrophenyl)-5-hexyn-2-one
SpectraBase Compound ID ZQVFDzwSwQ
InChI InChI=1S/C12H11NO3/c1-10(14)4-2-3-5-11-6-8-12(9-7-11)13(15)16/h6-9H,2,4H2,1H3
InChIKey HWLJNPPJTUYISL-UHFFFAOYSA-N
Mol Weight 217.22 g/mol
Molecular Formula C12H11NO3
Exact Mass 217.073893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GrtHUBIexWf
Name 6-(4-nitrophenyl)-5-hexyn-2-one
Alternate Name(s) 6-(4-nitrophenyl)hex-5-yn-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11NO3
InChI InChI=1S/C12H11NO3/c1-10(14)4-2-3-5-11-6-8-12(9-7-11)13(15)16/h6-9H,2,4H2,1H3
InChIKey HWLJNPPJTUYISL-UHFFFAOYSA-N
Molecular Weight 217.224 g/mol
SMILES CC(CCC#Cc1ccc(cc1)N(=O)=O)=O
SPLASH splash10-0006-9320000000-43b01768caa9414a0730
Source of Spectrum F-55-3946-13
Wiley ID 837264