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5-aminohexa-1,4-dien-3-one
SpectraBase Compound ID 2GiVgakKosm
InChI InChI=1S/C6H9NO/c1-3-6(8)4-5(2)7/h3-4H,1,7H2,2H3/b5-4+
InChIKey RBHUPAYMYIVGJI-SNAWJCMRSA-N
Mol Weight 111.14 g/mol
Molecular Formula C6H9NO
Exact Mass 111.068414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5QVKamLjA9Y
Name 5-aminohexa-1,4-dien-3-one
CAS Registry Number 101960-37-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H9NO
InChI InChI=1S/C6H9NO/c1-3-6(8)4-5(2)7/h3-4H,1,7H2,2H3/b5-4+
InChIKey RBHUPAYMYIVGJI-SNAWJCMRSA-N
Molecular Weight 111.144 g/mol
SMILES N\C(=C\C(C=C)=O)C
SPLASH splash10-03e9-6900000000-bd4840e3ead294dc0d19
Source of Spectrum J-53-2429-6
Synonyms (4E)-5-amino-1,4-hexadien-3-one
Wiley ID 1122855