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2-Propynoic acid, 3-(3-pyridinyl)-, ethyl ester
SpectraBase Compound ID HAgz08mNUEQ
InChI InChI=1S/C10H9NO2/c1-2-13-10(12)6-5-9-4-3-7-11-8-9/h3-4,7-8H,2H2,1H3
InChIKey CCSGBVGBVULUAC-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 XIWvMv0p2m
Name 2-Propynoic acid, 3-(3-pyridinyl)-, ethyl ester
CAS Registry Number 59608-03-6
Comments Less than 3 mono-isotopic peaks
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Formula C10H9NO2
InChI InChI=1S/C10H9NO2/c1-2-13-10(12)6-5-9-4-3-7-11-8-9/h3-4,7-8H,2H2,1H3
InChIKey CCSGBVGBVULUAC-UHFFFAOYSA-N
Molecular Weight 175.187 g/mol
SMILES C(#Cc1cnccc1)C(=O)OCC
SPLASH splash10-001i-0900000000-73d714e59e16d00e67fd
Source of Spectrum AC-1979-565-0
Synonyms 3-(3-pyridinyl)-2-propynoic acid ethyl ester 3-(3-pyridyl)propiolic acid ethyl ester ethyl 3-(3-pyridyl)prop-2-ynoate ethyl 3-pyridin-3-ylprop-2-ynoate
Wiley ID 1171403