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Histidine methyl ester dihydrochloride
SpectraBase Compound ID GmrmH3b7FAc
InChI InChI=1S/C7H11N3O2.2ClH/c1-12-7(11)6(8)2-5-3-9-4-10-5;;/h3,6H,2,4,8H2,1H3;2*1H
InChIKey VKVYMNCTQJICRE-UHFFFAOYSA-N
Mol Weight 242.11 g/mol
Molecular Formula C7H13Cl2N3O2
Exact Mass 241.038482 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8wO1qw6vS8e
Name Histidine methyl ester dihydrochloride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H13Cl2N3O2
InChI InChI=1S/C7H11N3O2.2ClH/c1-12-7(11)6(8)2-5-3-9-4-10-5;;/h3,6H,2,4,8H2,1H3;2*1H
InChIKey VKVYMNCTQJICRE-UHFFFAOYSA-N
Molecular Weight 242.106 g/mol
SMILES [Cl-].[NH+]1=CC(CC(C(=O)OC)[NH3+])=NC1.[Cl-]
SPLASH splash10-0a4u-9200000000-98d417364bfb9a7de25f
Synonyms 4-(2-ammonio-3-methoxy-3-oxopropyl)-2H-imidazol-1-ium dichloride Histidinmethylesterdihydrochlorid
Wiley ID 1510270