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2,4-Octadienoic acid, 8-azido-6-oxo-, methyl ester, (E,E)-
SpectraBase Compound ID 1UvKvemQdgD
InChI InChI=1S/C9H11N3O3/c1-15-9(14)5-3-2-4-8(13)6-7-11-12-10/h2-5H,6-7H2,1H3/b4-2+,5-3+
InChIKey USFCLVCZUHTWCK-ZUVMSYQZSA-N
Mol Weight 209.2 g/mol
Molecular Formula C9H11N3O3
Exact Mass 209.080041 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DycdcBPldgc
Name 2,4-Octadienoic acid, 8-azido-6-oxo-, methyl ester, (E,E)-
CAS Registry Number 113811-33-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H11N3O3
InChI InChI=1S/C9H11N3O3/c1-15-9(14)5-3-2-4-8(13)6-7-11-12-10/h2-5H,6-7H2,1H3/b4-2+,5-3+
InChIKey USFCLVCZUHTWCK-ZUVMSYQZSA-N
Molecular Weight 209.205 g/mol
SMILES C(N=[N+]=[N-])CC(\C=C\C=C\C(=O)OC)=O
SPLASH splash10-08gs-9700000000-2681d3687c79d9cb7f02
Source of Spectrum J-53-2098-11
Synonyms Methyl (2E,4E)-8-azido-6-oxo-2,4-octadienoate Methyl 8-azido-6-oxo-2,4-octadienoate
Wiley ID 1207917