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cis-3-Ethoxy-4,4a-dihydro-9-(methoxymethyl)-3H,10H-pyrano[4,3-b][1]benzopyran-10-one
SpectraBase Compound ID LVnOmG7tPd6
InChI InChI=1S/C16H18O5/c1-3-19-14-7-13-11(9-20-14)16(17)15-10(8-18-2)5-4-6-12(15)21-13/h4-6,9,13-14H,3,7-8H2,1-2H3/t13-,14+/m0/s1
InChIKey OGJZLJRIJISNSU-UONOGXRCSA-N
Mol Weight 290.31 g/mol
Molecular Formula C16H18O5
Exact Mass 290.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LAAcszNZEFc
Name cis-3-Ethoxy-4,4a-dihydro-9-(methoxymethyl)-3H,10H-pyrano[4,3-b][1]benzopyran-10-one
Alternate Name(s) (3R,4aS)-3-ethoxy-9-(methoxymethyl)-4,4a-dihydro-3H,10H-pyrano[4,3-b]chromen-10-one
Comments Removed - expert review: contamination (CH2Cl2); A corrected record has been addded having SpectrumID: 1821211
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O5
InChI InChI=1S/C16H18O5/c1-3-19-14-7-13-11(9-20-14)16(17)15-10(8-18-2)5-4-6-12(15)21-13/h4-6,9,13-14H,3,7-8H2,1-2H3/t13-,14+/m0/s1
InChIKey OGJZLJRIJISNSU-UONOGXRCSA-N
Molecular Weight 290.315 g/mol
SMILES C=12C(c3c(COC)cccc3O[C@]2(C[C@@](OC1)(OCC)[H])[H])=O
SPLASH splash10-0f6t-9030000000-d24d22a540a55466130c
Source of Spectrum F-50-11768-43
Wiley ID 789717