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3-Butanone, 1-hydroxy-1-(m-nitrophenyl)-2-propyl-
SpectraBase Compound ID IvGq0jo7ywE
InChI InChI=1S/C13H17NO4/c1-3-5-12(9(2)15)13(16)10-6-4-7-11(8-10)14(17)18/h4,6-8,12-13,16H,3,5H2,1-2H3
InChIKey STFMQNLXUVROIS-UHFFFAOYSA-N
Mol Weight 251.28 g/mol
Molecular Formula C13H17NO4
Exact Mass 251.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DFr9V9P7QoQ
Name 3-BUTANONE, 1-HYDROXY-1-(M-NITROPHENYL)-2-PROPYL-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H17O4N
InChI InChI=1S/C13H17NO4/c1-3-5-12(9(2)15)13(16)10-6-4-7-11(8-10)14(17)18/h4,6-8,12-13,16H,3,5H2,1-2H3
InChIKey STFMQNLXUVROIS-UHFFFAOYSA-N
Instrument Name CH5
Molecular Weight 251.1153
SMILES OC(C(CCC)C(C)=O)c1cc(N(=O)=O)ccc1
SPLASH splash10-0fdo-9300000000-86c1bc4e500dba299bfa
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany