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5-oxo-5-(propylamino)-3-(propylcarbamoyl)pent-3-enoic acid
SpectraBase Compound ID FQnfttXQGGk
InChI InChI=1S/C12H20N2O4/c1-3-5-13-10(15)7-9(8-11(16)17)12(18)14-6-4-2/h7H,3-6,8H2,1-2H3,(H,13,15)(H,14,18)(H,16,17)
InChIKey CJYXHDHYXHKFHR-UHFFFAOYSA-N
Mol Weight 256.3 g/mol
Molecular Formula C12H20N2O4
Exact Mass 256.142307 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6il6iZmYZua
Name 5-oxo-5-(propylamino)-3-(propylcarbamoyl)pent-3-enoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20N2O4
InChI InChI=1S/C12H20N2O4/c1-3-5-13-10(15)7-9(8-11(16)17)12(18)14-6-4-2/h7H,3-6,8H2,1-2H3,(H,13,15)(H,14,18)(H,16,17)
InChIKey CJYXHDHYXHKFHR-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 256.302 g/mol
SMILES N(C(C=C(C(=O)NCCC)CC(=O)O)=O)CCC
SPLASH splash10-0kgo-6910000000-2655c09bb0aaeaa3bc7e
Source of Spectrum WO2010101477A1
Wiley ID 1844230