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4-(Pent-1-yn-1-yl)-2H-chromen-2-one
SpectraBase Compound ID DgSNX5EQz8V
InChI InChI=1S/C14H12O2/c1-2-3-4-7-11-10-14(15)16-13-9-6-5-8-12(11)13/h5-6,8-10H,2-3H2,1H3
InChIKey DAVANEXHBUCEFX-UHFFFAOYSA-N
Mol Weight 212.25 g/mol
Molecular Formula C14H12O2
Exact Mass 212.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HuMbis5JwnY
Name 4-(Pent-1-yn-1-yl)-2H-chromen-2-one
Appearance Beige solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 212.083729624 u
Formula C14H12O2
InChI InChI=1S/C14H12O2/c1-2-3-4-7-11-10-14(15)16-13-9-6-5-8-12(11)13/h5-6,8-10H,2-3H2,1H3
InChIKey DAVANEXHBUCEFX-UHFFFAOYSA-N
Instrument Name Finnigan MAR
Ionization Type EI
Literature Reference DOI 10.1002/chem.201704912
Molecular Weight 212.248 g/mol
Quality 150
SMILES C(#CCCC)C1=CC(OC2=C1C=CC=C2)=O
SPLASH splash10-01q9-0920000000-a9b12ae14834a37c10a8
Source of Spectrum QE-24-SM6-4b (DOI: 10.1002/chem.201704912)
Thin-Layer Chromatography 0.30 (n-hexane/ethyl acetate, 5:1)
Wiley ID 1900291