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3-Butoxymethylcoumarin
SpectraBase Compound ID 3nGfNjrUDzs
InChI InChI=1S/C14H16O3/c1-2-3-8-16-10-12-9-11-6-4-5-7-13(11)17-14(12)15/h4-7,9H,2-3,8,10H2,1H3
InChIKey YGAIFRJFNUHDEY-UHFFFAOYSA-N
Mol Weight 232.28 g/mol
Molecular Formula C14H16O3
Exact Mass 232.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 32dV3v9I8sD
Name 3-Butoxymethylcoumarin
Appearance Colorless crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O3
InChI InChI=1S/C14H16O3/c1-2-3-8-16-10-12-9-11-6-4-5-7-13(11)17-14(12)15/h4-7,9H,2-3,8,10H2,1H3
InChIKey YGAIFRJFNUHDEY-UHFFFAOYSA-N
Instrument Name Bruker APEX II
Ionization Type EI
Molecular Weight 232.279 g/mol
SMILES C(CCC)OCC=1C(Oc2c(C1)cccc2)=O
SPLASH splash10-03e9-0900000000-6702f4c9106d0b303ee7
Source of Spectrum US8383843B2
Thin-Layer Chromatography Rf = 0.49 (ethyl acetate/n-hexane, 1:5)
Wiley ID 1847813