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L-Valine, N-[2-(chloroimino)-3-methyl-1-oxobutyl]-
SpectraBase Compound ID K8mPpfZijAN
InChI InChI=1S/C10H17ClN2O3/c1-5(2)7(13-11)9(14)12-8(6(3)4)10(15)16/h5-6,8H,1-4H3,(H,12,14)(H,15,16)/b13-7+
InChIKey LOHOKMIIZXYPMB-NTUHNPAUSA-N
Mol Weight 248.71 g/mol
Molecular Formula C10H17ClN2O3
Exact Mass 248.09277 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9TreSNJR46w
Name L-Valine, N-[2-(chloroimino)-3-methyl-1-oxobutyl]-
CAS Registry Number 55570-83-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H17ClN2O3
InChI InChI=1S/C10H17ClN2O3/c1-5(2)7(13-11)9(14)12-8(6(3)4)10(15)16/h5-6,8H,1-4H3,(H,12,14)(H,15,16)/b13-7+
InChIKey LOHOKMIIZXYPMB-NTUHNPAUSA-N
Molecular Weight 248.710 g/mol
SMILES N(C(C(O)=O)C(C)C)C(=O)\C(=N\Cl)C(C)C
SPLASH splash10-106r-9400000000-12cb264f77819788c100
Source of Spectrum AB-313-176-4
Synonyms N-[(2E)-2-(Chloroimino)-3-methylbutanoyl]valine 2-[[(2E)-2-chloranylimino-3-methyl-butanoyl]amino]-3-methyl-butanoic acid 2-[[(2E)-2-chloroimino-3-methyl-1-oxobutyl]amino]-3-methylbutanoic acid 2-[[(2E)-2-chloroimino-3-methyl-butanoyl]amino]-3-methyl-butanoic acid 2-[[(2E)-2-chloroimino-3-methyl-butanoyl]amino]-3-methyl-butyric acid
Wiley ID 1250527