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3-n-Pentadecyl-2,4-dinitrophenol
SpectraBase Compound ID ESImxb5Ng7r
InChI InChI=1S/C21H34N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-19(22(25)26)16-17-20(24)21(18)23(27)28/h16-17,24H,2-15H2,1H3
InChIKey AIXBROKEKOIXRU-UHFFFAOYSA-N
Mol Weight 394.5 g/mol
Molecular Formula C21H34N2O5
Exact Mass 394.246772 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9xxpxpMbtvQ
Name 3-n-Pentadecyl-2,4-dinitrophenol
Comments Less than 3 mono-isotopic peaks
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Formula C21H34N2O5
InChI InChI=1S/C21H34N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-19(22(25)26)16-17-20(24)21(18)23(27)28/h16-17,24H,2-15H2,1H3
InChIKey AIXBROKEKOIXRU-UHFFFAOYSA-N
Molecular Weight 394.512 g/mol
SMILES Oc1c(c(c(cc1)N(=O)=O)CCCCCCCCCCCCCCC)N(=O)=O
SPLASH splash10-004i-0009000000-0372480dd59c8b958047
Source of Spectrum F-62-6118-10
Synonyms 2,4-dinitro-3-pentadecylphenol
Wiley ID 1633917