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N-Chloroacetyl 3-Amino-3-methylbutyric Acid
SpectraBase Compound ID 8HmGttO34gl
InChI InChI=1S/C7H12ClNO3/c1-7(2,3-6(11)12)9-5(10)4-8/h3-4H2,1-2H3,(H,9,10)(H,11,12)
InChIKey JDYVKVYWUOIAJF-UHFFFAOYSA-N
Mol Weight 193.63 g/mol
Molecular Formula C7H12ClNO3
Exact Mass 193.050571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6QD9Wppbi4B
Name N-Chloroacetyl 3-Amino-3-methylbutyric Acid
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12ClNO3
InChI InChI=1S/C7H12ClNO3/c1-7(2,3-6(11)12)9-5(10)4-8/h3-4H2,1-2H3,(H,9,10)(H,11,12)
InChIKey JDYVKVYWUOIAJF-UHFFFAOYSA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Literature Reference DOI 10.1021/acs.jmedchem.5b00621
Molecular Weight 193.630 g/mol
Reported Formula C7H12ClNO3
SMILES N(C(CCl)=O)C(CC(O)=O)(C)C
SPLASH splash10-01po-4900000000-95f52e3b2aae54d557f7
Source of Spectrum AF-58-6527-11b
Wiley ID 1865501