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(E)-4-amino-3-(4-chlorophenyl)-2-butenoic acid
SpectraBase Compound ID 3BgRs9Pw1SH
InChI InChI=1S/C10H10ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-5H,6,12H2,(H,13,14)/b8-5-
InChIKey VRKUDVQDLHQBHH-YVMONPNESA-N
Mol Weight 211.65 g/mol
Molecular Formula C10H10ClNO2
Exact Mass 211.040006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ArXDTjzFEt
Name (E)-4-amino-3-(4-chlorophenyl)-2-butenoic acid
Alternate Name(s) (E)-4-Amino-3-(4-chlorophenyl)but-2-enoic acid (E)-4-azanyl-3-(4-chlorophenyl)but-2-enoic acid
CAS Registry Number 81187-92-0
Comments Less than 3 mono-isotopic peaks
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Formula C10H10ClNO2
InChI InChI=1S/C10H10ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-5H,6,12H2,(H,13,14)/b8-5-
InChIKey VRKUDVQDLHQBHH-YVMONPNESA-N
Molecular Weight 211.648 g/mol
SMILES NC\C(=C\C(=O)O)c1ccc(cc1)Cl
SPLASH splash10-03dl-0890000000-7e60757152f4bce8307c
Source of Spectrum B-34-2644-0
Wiley ID 1210224