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(S)-2-Amino-5-[4-tolyl]pent-4-ynoic acid

View entire compound with spectra: 1 MS (GC)

(S)-2-Amino-5-[4-tolyl]pent-4-ynoic acid
SpectraBase Compound ID 5IgXpMIflxH
InChI InChI=1S/C12H13NO2/c1-9-5-7-10(8-6-9)3-2-4-11(13)12(14)15/h5-8,11H,4,13H2,1H3,(H,14,15)/t11-/m0/s1
InChIKey NMAFNKOTMWJPIY-NSHDSACASA-N
Mol Weight 203.24 g/mol
Molecular Formula C12H13NO2
Exact Mass 203.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Jrsi0VEaXl
Name (S)-2-Amino-5-[4-tolyl]pent-4-ynoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO2
InChI InChI=1S/C12H13NO2/c1-9-5-7-10(8-6-9)3-2-4-11(13)12(14)15/h5-8,11H,4,13H2,1H3,(H,14,15)/t11-/m0/s1
InChIKey NMAFNKOTMWJPIY-NSHDSACASA-N
Literature Reference DOI 10.1039/C5RA22407A
Molecular Weight 203.241 g/mol
SMILES N[C@](C(=O)O)(CC#Cc1ccc(cc1)C)[H]
SPLASH splash10-0a4i-2900000000-da7408a3a5fdd77bae67
Source of Spectrum RSA-5-107409-3b
Synonyms (S)-2-amino-5-(p-tolyl)pent-4-ynoic acid
Wiley ID 1802776