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N-2-pyridyl-beta-alanine-methyl ester
SpectraBase Compound ID EeMEAyfiHkd
InChI InChI=1S/C9H12N2O2/c1-13-9(12)5-7-11-8-4-2-3-6-10-8/h2-4,6H,5,7H2,1H3,(H,10,11)
InChIKey CKZDJCJSSSCYFN-UHFFFAOYSA-N
Mol Weight 180.21 g/mol
Molecular Formula C9H12N2O2
Exact Mass 180.089878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3DtUhvSXXk
Name N-2-pyridyl-beta-alanine-methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12N2O2
InChI InChI=1S/C9H12N2O2/c1-13-9(12)5-7-11-8-4-2-3-6-10-8/h2-4,6H,5,7H2,1H3,(H,10,11)
InChIKey CKZDJCJSSSCYFN-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cctc.201900363
Molecular Weight 180.207 g/mol
SMILES N(c1ncccc1)CCC(=O)OC
SPLASH splash10-0adi-4900000000-6e6f57c82b72f770dcc9
Source of Spectrum CCC-11-SM40-1t_1
Synonyms Methyl 3-(pyridin-2-ylamino)propanoate
Wiley ID 1819412