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Crotalarin
SpectraBase Compound ID 2yK9pDaduFt
InChI InChI=1S/C20H18O5/c1-20(2)8-7-13-16(25-20)9-15(22)17-18(23)14(10-24-19(13)17)11-3-5-12(21)6-4-11/h3-6,9-10,21-22H,7-8H2,1-2H3
InChIKey XIQJWMALSPXBMN-UHFFFAOYSA-N
Mol Weight 338.36 g/mol
Molecular Formula C20H18O5
Exact Mass 338.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2uBTNYUIVc
Name Crotalarin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18O5
InChI InChI=1S/C20H18O5/c1-20(2)8-7-13-16(25-20)9-15(22)17-18(23)14(10-24-19(13)17)11-3-5-12(21)6-4-11/h3-6,9-10,21-22H,7-8H2,1-2H3
InChIKey XIQJWMALSPXBMN-UHFFFAOYSA-N
Molecular Weight 338.359 g/mol
SMILES Oc1ccc(C=2C(c3c(cc4OC(CCc4c3OC2)(C)C)O)=O)cc1
SPLASH splash10-001r-0295000000-e3b97f3b65611b2b47bc
Source of Spectrum X2-50-269-3
Synonyms 3-(4-hydroxyphenyl)-8,8-dimethyl-5-oxidanyl-9,10-dihydropyrano[2,3-h]chromen-4-one 5-Hydroxy-3-(4-hydroxyphenyl)-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-4-one 5-Hydroxy-3-(4-hydroxyphenyl)-8,8-dimethyl-9,10-dihydropyrano[2,3-h][1]benzopyran-4-one
Wiley ID 1602202