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3-[Hydroxy-(3-nitro-phenyl)-methyl]-5-methylene-heptane-2,6-dione
SpectraBase Compound ID CqFDU1P56tP
InChI InChI=1S/C15H17NO5/c1-9(10(2)17)7-14(11(3)18)15(19)12-5-4-6-13(8-12)16(20)21/h4-6,8,14-15,19H,1,7H2,2-3H3
InChIKey DWPCPAKNSCCTIY-UHFFFAOYSA-N
Mol Weight 291.3 g/mol
Molecular Formula C15H17NO5
Exact Mass 291.110673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ArKZuMrfiac
Name 3-[Hydroxy-(3-nitro-phenyl)-methyl]-5-methylene-heptane-2,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17NO5
InChI InChI=1S/C15H17NO5/c1-9(10(2)17)7-14(11(3)18)15(19)12-5-4-6-13(8-12)16(20)21/h4-6,8,14-15,19H,1,7H2,2-3H3
InChIKey DWPCPAKNSCCTIY-UHFFFAOYSA-N
Molecular Weight 291.303 g/mol
SMILES OC(C(CC(C(=O)C)=C)C(=O)C)c1cc(N(=O)=O)ccc1
SPLASH splash10-0006-9020000000-26dca09096dafc463152
Source of Spectrum F-59-1186-2b-anti
Synonyms anti-3-(.alpha.-Hydroxy-m-nitrobenzyl)-5-methyleneheptan-2,6-dione
Wiley ID 1677031