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3-Dodecyl-1,2,4-trimethoxy-5-nitrobenzene
SpectraBase Compound ID 7VGOjba3VFb
InChI InChI=1S/C21H35NO5/c1-5-6-7-8-9-10-11-12-13-14-15-17-20(26-3)18(22(23)24)16-19(25-2)21(17)27-4/h16H,5-15H2,1-4H3
InChIKey XJIWMKUNCGQBBL-UHFFFAOYSA-N
Mol Weight 381.5 g/mol
Molecular Formula C21H35NO5
Exact Mass 381.251523 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6zyGMYbhIzG
Name 3-Dodecyl-1,2,4-trimethoxy-5-nitrobenzene
Comments Less than 3 mono-isotopic peaks
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Formula C21H35NO5
InChI InChI=1S/C21H35NO5/c1-5-6-7-8-9-10-11-12-13-14-15-17-20(26-3)18(22(23)24)16-19(25-2)21(17)27-4/h16H,5-15H2,1-4H3
InChIKey XJIWMKUNCGQBBL-UHFFFAOYSA-N
Molecular Weight 381.513 g/mol
SMILES c1(N(=O)=O)c(c(CCCCCCCCCCCC)c(c(c1)OC)OC)OC
SPLASH splash10-001i-0019000000-8af6c3ef917b737ae7f1
Source of Spectrum H1-38-669-3
Wiley ID 756144