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2(5H)-Furanone, 5,5-bis(1,3-benzodioxol-5-ylhydroxymethyl)-4-methoxy-
SpectraBase Compound ID E7p6jskVmqT
InChI InChI=1S/C21H18O9/c1-25-17-8-18(22)30-21(17,19(23)11-2-4-13-15(6-11)28-9-26-13)20(24)12-3-5-14-16(7-12)29-10-27-14/h2-8,19-20,23-24H,9-10H2,1H3
InChIKey WINAJBTXPCPXIU-UHFFFAOYSA-N
Mol Weight 414.37 g/mol
Molecular Formula C21H18O9
Exact Mass 414.095082 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lh3Ti7hRqEE
Name 2(5H)-Furanone, 5,5-bis(1,3-benzodioxol-5-ylhydroxymethyl)-4-methoxy-
CAS Registry Number 111671-03-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18O9
InChI InChI=1S/C21H18O9/c1-25-17-8-18(22)30-21(17,19(23)11-2-4-13-15(6-11)28-9-26-13)20(24)12-3-5-14-16(7-12)29-10-27-14/h2-8,19-20,23-24H,9-10H2,1H3
InChIKey WINAJBTXPCPXIU-UHFFFAOYSA-N
Molecular Weight 414.366 g/mol
SMILES OC(C1(C(c2cc3OCOc3cc2)O)C(=CC(O1)=O)OC)c1cc2OCOc2cc1
SPLASH splash10-0f6t-0900000000-23f3f048222215dfd255
Source of Spectrum KC-1987-731-61
Synonyms 1-Oxa-4-methoxy-(phenylmethoxymethylene)-cyclopent-3-en-2-one 5,5-bis[1,3-benzodioxol-5-yl(hydroxy)methyl]-4-methoxy-2(5H)-furanone
Wiley ID 1375293