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3-Amino-3-(4-chlorophenyl)propanoic acid
SpectraBase Compound ID C2CUVS2QX4L
InChI InChI=1S/C9H10ClNO2/c10-7-3-1-6(2-4-7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)
InChIKey BXGDBHAMTMMNTO-UHFFFAOYSA-N
Mol Weight 199.64 g/mol
Molecular Formula C9H10ClNO2
Exact Mass 199.040006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7k8ufeKEmf4
Name 3-Amino-3-(4-chlorophenyl)propanoic acid
Alternate Name(s) 3-Amino-3-(4-chlorophenyl)propionic acid 3-Azanyl-3-(4-chlorophenyl)propanoic acid
CAS Registry Number 19947-39-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10ClNO2
InChI InChI=1S/C9H10ClNO2/c10-7-3-1-6(2-4-7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)
InChIKey BXGDBHAMTMMNTO-UHFFFAOYSA-N
Molecular Weight 199.637 g/mol
SMILES OC(CC(c1ccc(cc1)Cl)N)=O
SPLASH splash10-0006-3900000000-172ab1b493ce0b7802aa
Source of Spectrum AD-0-2532-0
Wiley ID 1432974