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3-Isopropoxymethylcoumarin
SpectraBase Compound ID 2xTy7ZbBXFp
InChI InChI=1S/C13H14O3/c1-9(2)15-8-11-7-10-5-3-4-6-12(10)16-13(11)14/h3-7,9H,8H2,1-2H3
InChIKey RWHPNYINCOVHEM-UHFFFAOYSA-N
Mol Weight 218.25 g/mol
Molecular Formula C13H14O3
Exact Mass 218.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F7pXgxGjneV
Name 3-Isopropoxymethylcoumarin
Appearance Colorless crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O3
InChI InChI=1S/C13H14O3/c1-9(2)15-8-11-7-10-5-3-4-6-12(10)16-13(11)14/h3-7,9H,8H2,1-2H3
InChIKey RWHPNYINCOVHEM-UHFFFAOYSA-N
Instrument Name Bruker APEX II
Ionization Type EI
Molecular Weight 218.252 g/mol
SMILES C(C)(C)OCC=1C(Oc2c(C1)cccc2)=O
SPLASH splash10-03fr-0900000000-cfc4817968255493d8f4
Source of Spectrum US8383843B2
Thin-Layer Chromatography Rf = 0.46 (ethyl acetate/n-hexane, 1:5)
Wiley ID 1847812