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4-Amino-3-ethynyl-benzoic acid methyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-Amino-3-ethynyl-benzoic acid methyl ester
SpectraBase Compound ID Kzxn3shud5B
InChI InChI=1S/C10H9NO2/c1-3-7-6-8(10(12)13-2)4-5-9(7)11/h1,4-6H,11H2,2H3
InChIKey RXFUCYXUJDBPLG-UHFFFAOYSA-N
Mol Weight 175.19 g/mol
Molecular Formula C10H9NO2
Exact Mass 175.063329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 20A2nhZ9A6t
Name 4-Amino-3-ethynyl-benzoic acid methyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H9NO2
InChI InChI=1S/C10H9NO2/c1-3-7-6-8(10(12)13-2)4-5-9(7)11/h1,4-6H,11H2,2H3
InChIKey RXFUCYXUJDBPLG-UHFFFAOYSA-N
Molecular Weight 175.187 g/mol
SMILES Nc1c(cc(cc1)C(=O)OC)C#C
SPLASH splash10-002f-1900000000-f0a8dcdcbbce83e04b1c
Source of Spectrum U1-2001-4611-0
Synonyms Methyl 4-amino-3-ethynyl-benzoate Methyl 4-azanyl-3-ethynyl-benzoate 4-Amino-3-ethynylbenzoic acid methyl ester
Wiley ID 815209