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N-Isobutyryldehydroalanine methyl ester
SpectraBase Compound ID CqSgbtdROBn
InChI InChI=1S/C8H13NO3/c1-5(2)7(10)9-6(3)8(11)12-4/h5H,3H2,1-2,4H3,(H,9,10)
InChIKey YHCQFKMFQBNPLN-UHFFFAOYSA-N
Mol Weight 171.2 g/mol
Molecular Formula C8H13NO3
Exact Mass 171.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5HxKKuvEMYB
Name N-Isobutyryldehydroalanine methyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C8H13NO3
InChI InChI=1S/C8H13NO3/c1-5(2)7(10)9-6(3)8(11)12-4/h5H,3H2,1-2,4H3,(H,9,10)
InChIKey YHCQFKMFQBNPLN-UHFFFAOYSA-N
Molecular Weight 171.196 g/mol
SMILES N(C(C(=O)OC)=C)C(=O)C(C)C
SPLASH splash10-00di-0900000000-fd8ed567eb04ff585660
Source of Spectrum C4-2002-185-0
Synonyms 2-[(2-methyl-1-oxopropyl)amino]-2-propenoic acid methyl ester methyl 2-(2-methylpropanoylamino)prop-2-enoate
Wiley ID 1520110