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8-hydroxy-3-(2-hydroxypropyl)-6-methoxy-coumarin
SpectraBase Compound ID A8FScyg1Ua1
InChI InChI=1S/C13H14O5/c1-7(14)3-9-4-8-5-10(17-2)6-11(15)12(8)18-13(9)16/h4-7,14-15H,3H2,1-2H3
InChIKey YQILNNCHDIUIAD-UHFFFAOYSA-N
Mol Weight 250.25 g/mol
Molecular Formula C13H14O5
Exact Mass 250.084124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KbwsN6nPgpE
Name 8-hydroxy-3-(2-hydroxypropyl)-6-methoxy-chromen-2-one
Appearance oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O5
InChI InChI=1S/C13H14O5/c1-7(14)3-9-4-8-5-10(17-2)6-11(15)12(8)18-13(9)16/h4-7,14-15H,3H2,1-2H3
InChIKey YQILNNCHDIUIAD-UHFFFAOYSA-N
Instrument Name Montana State
Ionization Type EI
Literature Reference DOI 10.1021/np049975d
Molecular Weight 250.250 g/mol
Optical Rotation [a]D20 = +21.4 (c = 0.0029, MeOH)
SMILES OC(CC=1C(Oc2c(cc(cc2O)OC)C1)=O)C
SPLASH splash10-0a4i-0190000000-09974f32b712d4e0f1c4
Source of Spectrum G4-67-1394-5
Wiley ID 1881858