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(2'S)-7-Hydroxy-5-hydroxymethyl-2-(2'-hydroxypropyl)chromone
SpectraBase Compound ID BO4383odgNT
InChI InChI=1S/C13H14O5/c1-7(15)2-10-5-11(17)13-8(6-14)3-9(16)4-12(13)18-10/h3-5,7,14-16H,2,6H2,1H3/t7-/m0/s1
InChIKey IXBRSDJVIGCXMC-ZETCQYMHSA-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 DJh9czO6J0l
Name (2'S)-7-Hydroxy-5-hydroxymethyl-2-(2'-hydroxypropyl)chromone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O5
InChI InChI=1S/C13H14O5/c1-7(15)2-10-5-11(17)13-8(6-14)3-9(16)4-12(13)18-10/h3-5,7,14-16H,2,6H2,1H3/t7-/m0/s1
InChIKey IXBRSDJVIGCXMC-ZETCQYMHSA-N
Instrument Name JEOL JMS-HX 300
Ionization Type EI
Literature Reference DOI 10.1021/np020003k
Molecular Weight 250.250 g/mol
Optical Rotation [a]D28 = +38.4 (c = 0.8, MeOH)
Reported Formula C13H14O5
SMILES OCc1cc(cc2OC(C[C@](C)(O)[H])=CC(c12)=O)O
SPLASH splash10-0udl-0970000000-2aa57d98361ddf6fd251
Source of Spectrum G4-65-1166-2
Wiley ID 1883791