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(S)-2-Amino-5-[4-chlorobenzene]pent-4-ynoic acid
SpectraBase Compound ID B7Zra9ACHeH
InChI InChI=1S/C11H10ClNO2/c12-9-6-4-8(5-7-9)2-1-3-10(13)11(14)15/h4-7,10H,3,13H2,(H,14,15)/t10-/m0/s1
InChIKey XMEBGHAAWDYSGQ-JTQLQIEISA-N
Mol Weight 223.66 g/mol
Molecular Formula C11H10ClNO2
Exact Mass 223.040006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 197iK9rBk9Q
Name (S)-2-Amino-5-[4-chlorobenzene]pent-4-ynoic acid
Alternate Name(s) (S)-2-amino-5-(4-chlorophenyl)pent-4-ynoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H10ClNO2
InChI InChI=1S/C11H10ClNO2/c12-9-6-4-8(5-7-9)2-1-3-10(13)11(14)15/h4-7,10H,3,13H2,(H,14,15)/t10-/m0/s1
InChIKey XMEBGHAAWDYSGQ-JTQLQIEISA-N
Literature Reference DOI 10.1039/C5RA22407A
Molecular Weight 223.659 g/mol
SMILES N[C@](C(=O)O)(CC#Cc1ccc(cc1)Cl)[H]
SPLASH splash10-00fr-9700000000-6ad8fc654525ae6425db
Source of Spectrum RSA-5-107409-3h
Wiley ID 1802782