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(E)-3-carbomethoxy-2-propenyl trans-6-(3,4,5-trimethoxyphenyl)cyclobuta(f)-1,3-benzodioxole-5-carboxylate
SpectraBase Compound ID EcD6R5DafPu
InChI InChI=1S/C24H24O9/c1-27-18-8-13(9-19(28-2)23(18)30-4)21-14-10-16-17(33-12-32-16)11-15(14)22(21)24(26)31-7-5-6-20(25)29-3/h5-6,8-11,21-22H,7,12H2,1-4H3/b6-5+
InChIKey MYGUHGHKWUYSIZ-AATRIKPKSA-N
Mol Weight 456.45 g/mol
Molecular Formula C24H24O9
Exact Mass 456.142032 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8WUKReqeW4T
Name (E)-3-carbomethoxy-2-propenyl trans-6-(3,4,5-trimethoxyphenyl)cyclobuta(f)-1,3-benzodioxole-5-carboxylate
CAS Registry Number 94671-23-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H24O9
InChI InChI=1S/C24H24O9/c1-27-18-8-13(9-19(28-2)23(18)30-4)21-14-10-16-17(33-12-32-16)11-15(14)22(21)24(26)31-7-5-6-20(25)29-3/h5-6,8-11,21-22H,7,12H2,1-4H3/b6-5+
InChIKey MYGUHGHKWUYSIZ-AATRIKPKSA-N
Molecular Weight 456.447 g/mol
SMILES c12c(cc3c(c2)OCO3)C(C1c1cc(OC)c(c(c1)OC)OC)C(=O)OC\C=C\C(=O)OC
SPLASH splash10-053r-9021500000-15adeedef5ea66f75c14
Source of Spectrum J-50-1105-90
Synonyms (2E)-4-methoxy-4-oxo-2-butenyl 6-(3,4,5-trimethoxyphenyl)-5,6-dihydrocyclobuta[f][1,3]benzodioxole-5-carboxylate
Wiley ID 1389250