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1-(2-Methoxyphenyl)-4-nitro-1-butanone
SpectraBase Compound ID BTjrE7odfvw
InChI InChI=1S/C11H13NO4/c1-16-11-7-3-2-5-9(11)10(13)6-4-8-12(14)15/h2-3,5,7H,4,6,8H2,1H3
InChIKey ISJOSQFXASKNBF-UHFFFAOYSA-N
Mol Weight 223.23 g/mol
Molecular Formula C11H13NO4
Exact Mass 223.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BPIM8er5DJ
Name 1-(2-Methoxyphenyl)-4-nitro-1-butanone
Alternate Name(s) 1-(2-Methoxyphenyl)-4-nitro-butan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13NO4
InChI InChI=1S/C11H13NO4/c1-16-11-7-3-2-5-9(11)10(13)6-4-8-12(14)15/h2-3,5,7H,4,6,8H2,1H3
InChIKey ISJOSQFXASKNBF-UHFFFAOYSA-N
Molecular Weight 223.228 g/mol
SMILES C(N(=O)=O)CCC(c1c(OC)cccc1)=O
SPLASH splash10-000i-0910000000-fe6f2b91ec51ca4ef795
Source of Spectrum F-51-1782-1
Wiley ID 790907