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Acetyl-L-carnitine HCl

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Acetyl-L-carnitine HCl
SpectraBase Compound ID CXBP8B0Kn5r
InChI InChI=1S/C9H17NO4.ClH/c1-7(11)14-8(5-9(12)13)6-10(2,3)4;/h8H,5-6H2,1-4H3;1H/t8-;/m0./s1
InChIKey JATPLOXBFFRHDN-QRPNPIFTSA-N
Mol Weight 239.7 g/mol
Molecular Formula C9H18ClNO4
Exact Mass 239.092436 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GItrcuLKYc3
Name Acetyl-L-carnitine
Acquisition Mode SIMULTANEOUS
Comments 100 mM Acetyl-L-carnitine - Sigma-Aldrich; Solvent D2O; Buffer sodium phosphate; Cytocide sodium azide; Reference DSS; pH 7.4, temperature 298 K
Copyright Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium
Formula C9 H18 Cl N O4
IUPAC Name [(2R)-2-acetyloxy-4-hydroxy-4-oxobutyl]-trimethylazanium chloride; [(2R)-2-acetoxy-4-hydroxy-4-keto-butyl]-trimethyl-ammonium chloride; [(2R)-2-acetoxy-4-hydroxy-4-oxo-butyl]-trimethyl-ammonium chloride; [(2R)-2-acetoxy-4-hydroxy-4-oxobutyl]-trimethylammonium chloride; [(2R)-2-acetyloxy-4-hydroxy-4-oxo-butyl]-trimethyl-azanium chloride
InChI InChI=1S/C9H17NO4.ClH/c1-7(11)14-8(5-9(12)13)6-10(2,3)4;/h8H,5-6H2,1-4H3;1H/t8-;/m0./s1
InChIKey JATPLOXBFFRHDN-QRPNPIFTSA-N
PubChem Compound ID 2733928
SMILES CC(=O)OC(CC(=O)O)C[N+](C)(C)C.[Cl-]
Source File Reference bmse000464