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N-Isobutyryldehydroalanine
SpectraBase Compound ID HEhYV3dyGT5
InChI InChI=1S/C7H11NO3/c1-4(2)6(9)8-5(3)7(10)11/h4H,3H2,1-2H3,(H,8,9)(H,10,11)
InChIKey SQRJBXOYRNODQD-UHFFFAOYSA-N
Mol Weight 157.17 g/mol
Molecular Formula C7H11NO3
Exact Mass 157.073893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DLzFYkeOdGU
Name N-Isobutyryldehydroalanine
Alternate Name(s) 2-[(2-methyl-1-oxopropyl)amino]-2-propenoic acid 2-(2-methylpropanoylamino)prop-2-enoic acid
Comments Less than 3 mono-isotopic peaks
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Formula C7H11NO3
InChI InChI=1S/C7H11NO3/c1-4(2)6(9)8-5(3)7(10)11/h4H,3H2,1-2H3,(H,8,9)(H,10,11)
InChIKey SQRJBXOYRNODQD-UHFFFAOYSA-N
Molecular Weight 157.169 g/mol
SMILES N(C(C(=O)O)=C)C(=O)C(C)C
SPLASH splash10-0a4i-0900000000-dfac49248afadd8654c9
Source of Spectrum C4-2002-185-0
Wiley ID 1520111