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(1E)-2,6-Cyclooctadien-1-one semicarbazone
SpectraBase Compound ID HyVBgA448kk
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-XGFHIATESA-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 92Qr8e91xAI
Name (1E)-2,6-Cyclooctadien-1-one semicarbazone
Alternate Name(s) 1-[(E)-[(2Z,6Z)-cycloocta-2,6-dien-1-ylidene]amino]urea Hydrazinecarboxamide, 2-(2,6-cyclooctadien-1-ylidene)- [(E)-[(2Z,6Z)-1-cycloocta-2,6-dienylidene]amino]urea [(E)-[(2Z,6Z)-cycloocta-2,6-dien-1-ylidene]amino]urea
CAS Registry Number 68344-44-5
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-XGFHIATESA-N
Molecular Weight 179.223 g/mol
SMILES N(\N=C\1\C=C/CC\C=C/C1)C(=O)N
SPLASH splash10-054x-9200000000-8d444af2dc95511d881c
Wiley ID 1498619