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METHYL-(E,E)-7-NITRO-2,6-OCTADIENOATE
SpectraBase Compound ID keR3fUThXC
InChI InChI=1S/C9H13NO4/c1-8(10(12)13)6-4-3-5-7-9(11)14-2/h5-7H,3-4H2,1-2H3/b7-5+,8-6+
InChIKey UUDDOJUFDIJAEO-KQQUZDAGSA-N
Mol Weight 199.21 g/mol
Molecular Formula C9H13NO4
Exact Mass 199.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 37j1kNDKRU
Name (2E,6E)-7-nitroocta-2,6-dienoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H13NO4
InChI InChI=1S/C9H13NO4/c1-8(10(12)13)6-4-3-5-7-9(11)14-2/h5-7H,3-4H2,1-2H3/b7-5+,8-6+
InChIKey UUDDOJUFDIJAEO-KQQUZDAGSA-N
Molecular Weight 199.206 g/mol
SMILES C(\C=C/(N(=O)=O)C)C\C=C\C(=O)OC
SPLASH splash10-0f6x-9200000000-6238be5b1c349ce4267f
Source of Spectrum J-58-1857-1
Synonyms Methyl (2E,6E)-7-nitroocta-2,6-dienoate
Wiley ID 1196577