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Methyl 4-aminobutyrate
SpectraBase Compound ID 6ohf2M4Qpnl
InChI InChI=1S/C5H11NO2/c1-8-5(7)3-2-4-6/h2-4,6H2,1H3
InChIKey KVQGGLZHHFGHPU-UHFFFAOYSA-N
Mol Weight 117.15 g/mol
Molecular Formula C5H11NO2
Exact Mass 117.078979 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4KrF599446F
Name Methyl 4-aminobutyrate
Acquisition Mode SIMULTANEOUS
CAS Registry Number 13031-60-2 3251-07-8
Comments 100 mM Methyl 4-aminobutyrate hydrochloride - vendor: Fluka 16502; Solvent: D2O; Buffers, etc: 50 mM Sodium Phosphate, 500 uM NaAzide; Temperature=298 K, pH=7.4; NMR Reference: 500 uM DSS; Bruker DMX 400MHz (Data collected by Madison Metabolomics Consortium)
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium
Formula C5H11NO2
IUPAC Name 4-aminobutanoic acid methyl ester
InChI InChI=1S/C5H11NO2/c1-8-5(7)3-2-4-6/h2-4,6H2,1H3
InChIKey KVQGGLZHHFGHPU-UHFFFAOYSA-N
PubChem Compound ID 18614
SMILES COC(=O)CCCN
Source File Reference bmse000249