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SESCANDELIN_B
SpectraBase Compound ID 6vA1PKmwQq8
InChI InChI=1S/C11H10O5/c1-5-8(4-12)7-2-6(13)3-9(14)10(7)11(15)16-5/h2-3,12-14H,4H2,1H3
InChIKey SIGBMSMENCGPQO-UHFFFAOYSA-N
Mol Weight 222.2 g/mol
Molecular Formula C11H10O5
Exact Mass 222.052823 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H3fs3iXfkM4
Name SESCANDELIN-B;6,8-DIHYDROXY-4-HYDROXYMETHYL-3-METHYL-ISOCOUMARIN
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H10O5
InChI InChI=1S/C11H10O5/c1-5-8(4-12)7-2-6(13)3-9(14)10(7)11(15)16-5/h2-3,12-14H,4H2,1H3
InChIKey SIGBMSMENCGPQO-UHFFFAOYSA-N
Literature Reference Author Y.KIMURA,M.NAKADOI,H.NAKAJIMA,T.HAMASAKI,T.NAGAI,K.KOHMOTO,A .SHIMADA
Literature Reference Citation AGR.BIOL.CHEM.,55,1887(1991)
Literature Reference DOI 10.1271/bbb1961.55.1887
Molecular Weight 222.197 g/mol
Source File Reference UWBT7775