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2,6-cyclooctadien-1-one-semicarbazone
SpectraBase Compound ID IkZFRJaZDAl
InChI InChI=1S/C9H13N3O/c10-9(13)12-11-8-6-4-2-1-3-5-7-8/h2,4-5,7H,1,3,6H2,(H3,10,12,13)/b4-2-,7-5-,11-8-
InChIKey CHLUUKWFISHSAN-WUNRDMLWSA-N
Mol Weight 179.22 g/mol
Molecular Formula C9H13N3O
Exact Mass 179.105862 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1XPXQX2ulNu
Name 2,6-cyclooctadien-1-one-semicarbazone
Alternate Name(s) (1Z)-2,6-cyclooctadien-1-one semicarbazone 1-[2-aminocarbonyl)hydrazinylidene]]cycloocta-2,6-diene
CAS Registry Number 95826-87-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H13N3O
InChI InChI=1S/C9H13N3O/c10-9(13)12-11-8-6-4-2-1-3-5-7-8/h2,4-5,7H,1,3,6H2,(H3,10,12,13)/b4-2-,7-5-,11-8-
InChIKey CHLUUKWFISHSAN-WUNRDMLWSA-N
Molecular Weight 179.223 g/mol
SMILES N(\N=C/1\C=C/CC\C=C/C1)C(=O)N
SPLASH splash10-0pxr-2900000000-236ee816b63b863f4fe6
Source of Spectrum K-118-191-10
Wiley ID 1175130