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1,3-Hexanedione, 1-(3,4-dimethoxyphenyl)-6-nitro-
SpectraBase Compound ID LoHJQl5HT0h
InChI InChI=1S/C14H17NO6/c1-20-13-6-5-10(8-14(13)21-2)12(17)9-11(16)4-3-7-15(18)19/h5-6,8H,3-4,7,9H2,1-2H3
InChIKey SLDBNDNVZSCMRI-UHFFFAOYSA-N
Mol Weight 295.29 g/mol
Molecular Formula C14H17NO6
Exact Mass 295.105587 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7QPpeMgDcZj
Name 1,3-Hexanedione, 1-(3,4-dimethoxyphenyl)-6-nitro-
CAS Registry Number 79630-96-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17NO6
InChI InChI=1S/C14H17NO6/c1-20-13-6-5-10(8-14(13)21-2)12(17)9-11(16)4-3-7-15(18)19/h5-6,8H,3-4,7,9H2,1-2H3
InChIKey SLDBNDNVZSCMRI-UHFFFAOYSA-N
Molecular Weight 295.291 g/mol
SMILES C(N(=O)=O)CCC(CC(c1cc(OC)c(cc1)OC)=O)=O
SPLASH splash10-014i-4930000000-133cdd7f82017b732b2f
Source of Spectrum H-64-733-0
Synonyms 1-(3,4-Dimethoxyphenyl)-6-nitro-1,3-hexandione 1-(3,4-dimethoxyphenyl)-6-nitro-1,3-hexanedione
Wiley ID 1298056