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Methyl 11-(3-Azido-5-(azidomethyl)benzamido)-undecanoate
SpectraBase Compound ID BJX7xXrj7Fr
InChI InChI=1S/C20H29N7O3/c1-30-19(28)10-8-6-4-2-3-5-7-9-11-23-20(29)17-12-16(15-24-26-21)13-18(14-17)25-27-22/h12-14H,2-11,15H2,1H3,(H,23,29)
InChIKey ZVSRLPRUWJVOAW-UHFFFAOYSA-N
Mol Weight 415.5 g/mol
Molecular Formula C20H29N7O3
Exact Mass 415.233188 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8g0OSX2o1IW
Name Methyl 11-(3-Azido-5-(azidomethyl)benzamido)-undecanoate
Appearance Light brown solid
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Exact Mass 415.233187819 u
Formula C20H29N7O3
InChI InChI=1S/C20H29N7O3/c1-30-19(28)10-8-6-4-2-3-5-7-9-11-23-20(29)17-12-16(15-24-26-21)13-18(14-17)25-27-22/h12-14H,2-11,15H2,1H3,(H,23,29)
InChIKey ZVSRLPRUWJVOAW-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1021/jo3026737
Molecular Weight 415.498 g/mol
Quality 261
Reported Formula C20H29N7O3
SMILES N(CCCCCCCCCCC(OC)=O)C(C1=CC(=CC(=C1)CN=[N+]=[N-])N=[N+]=[N-])=O
SPLASH splash10-066s-9726100000-9c889f660b2053b4b32b
Source of Spectrum JOC-78-2460-20 (DOI: 10.1021/jo3026737)
Thin-Layer Chromatography 0.24 (cyclohexane/ethyl acetate, 3:1)
Wiley ID 1912374