Debug Info

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_id
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BOXXw84zmvl
spectrumID
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BOXXw84zmvl
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Mass Spectrum (GC)
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2-(4-Chloroanilino)propanoic acid methyl ester
SpectraBase Compound ID JxOvUdkI0jx
InChI InChI=1S/C10H12ClNO2/c1-7(10(13)14-2)12-9-5-3-8(11)4-6-9/h3-7,12H,1-2H3
InChIKey MMCACXQOJXOMAB-UHFFFAOYSA-N
Mol Weight 213.66 g/mol
Molecular Formula C10H12ClNO2
Exact Mass 213.055656 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BOXXw84zmvl
Name 2-(4-Chloroanilino)propanoic acid methyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12ClNO2
InChI InChI=1S/C10H12ClNO2/c1-7(10(13)14-2)12-9-5-3-8(11)4-6-9/h3-7,12H,1-2H3
InChIKey MMCACXQOJXOMAB-UHFFFAOYSA-N
Molecular Weight 213.664 g/mol
SMILES N(C(C(=O)OC)C)c1ccc(cc1)Cl
SPLASH splash10-0udi-2900000000-948b397d648d0f68bbb0
Source of Spectrum IY-1-4209-1
Synonyms Alanine, N-(4-chlorophenyl)-, methyl ester 2-(4-Chloroanilino)propionic acid methyl ester Methyl N-(4-chlorophenyl)alaninate Methyl 2-(4-chloroanilino)propanoate Methyl 2-[(4-chlorophenyl)amino]propanoate
Wiley ID 1650111
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