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[3-(4-chlorophenyl)-4-hydroxy-4-oxobutyl]azanium chloride
SpectraBase Compound ID EEE2b9uyskY
InChI InChI=1S/C10H12ClNO2.Cl/c11-8-3-1-7(2-4-8)9(5-6-12)10(13)14;/h1-4,9H,5-6,12H2,(H,13,14);
InChIKey IVBWAXUJDPOTLL-UHFFFAOYSA-N
Mol Weight 249.12 g/mol
Molecular Formula C10H12Cl2NO2
Exact Mass 248.024509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GoJfT56ZBT4
Name [3-(4-chlorophenyl)-4-hydroxy-4-oxobutyl]azanium chloride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H13Cl2NO2
InChI InChI=1S/C10H12ClNO2.Cl/c11-8-3-1-7(2-4-8)9(5-6-12)10(13)14;/h1-4,9H,5-6,12H2,(H,13,14);
InChIKey IVBWAXUJDPOTLL-UHFFFAOYSA-N
Molecular Weight 250.125 g/mol
SMILES Cl.NCCC(C(=O)O)c1ccc(cc1)Cl
SPLASH splash10-0gba-0900000000-719af2674e9740853954
Source of Spectrum JA-50-813-0
Synonyms [3-carboxy-3-(4-chlorophenyl)propyl]azanium;chloride [3-(4-chlorophenyl)-4-oxidanyl-4-oxidanylidene-butyl]azanium;chloride
Wiley ID 1251943