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4-METHYLAMINOPENT-3-EN-2-ONE;MAJOR_ISOMER
SpectraBase Compound ID 76TAjfcPZb3
InChI InChI=1S/C6H11NO/c1-5(7-3)4-6(2)8/h4,7H,1-3H3/b5-4+
InChIKey FNMKFVXIVPDFBL-SNAWJCMRSA-N
Mol Weight 113.16 g/mol
Molecular Formula C6H11NO
Exact Mass 113.084064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3U6pFgugtv0
Name 3-Penten-2-one, 4-(methylamino)-
CAS Registry Number 14092-14-9
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H11NO
InChI InChI=1S/C6H11NO/c1-5(7-3)4-6(2)8/h4,7H,1-3H3/b5-4+
InChIKey FNMKFVXIVPDFBL-SNAWJCMRSA-N
Molecular Weight 113.160 g/mol
SMILES N(\C(=C\C(C)=O)C)C
SPLASH splash10-06r2-9200000000-4c96975700508fe8c11b
Source of Spectrum O-2-885-6
Synonyms (3E)-4-(Methylamino)-3-penten-2-one 2-Methylamino-2-penten-4-one (E)-4-(methylamino)pent-3-en-2-one (E)-4-(methylamino)-3-penten-2-one
Wiley ID 3044