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(2E,5E)-2,5-Bis(1,3-benzodioxol-5-ylmethylene)cyclopentanone
SpectraBase Compound ID fhCqEBXztt
InChI InChI=1S/C21H16O5/c22-21-15(7-13-1-5-17-19(9-13)25-11-23-17)3-4-16(21)8-14-2-6-18-20(10-14)26-12-24-18/h1-2,5-10H,3-4,11-12H2/b15-7+,16-8+
InChIKey LNKNETAYXQLOBY-BGPOSVGRSA-N
Mol Weight 348.35 g/mol
Molecular Formula C21H16O5
Exact Mass 348.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3H1DyLKoPw
Name (2E,5E)-2,5-Bis(1,3-benzodioxol-5-ylmethylene)cyclopentanone
CAS Registry Number 5447-52-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16O5
InChI InChI=1S/C21H16O5/c22-21-15(7-13-1-5-17-19(9-13)25-11-23-17)3-4-16(21)8-14-2-6-18-20(10-14)26-12-24-18/h1-2,5-10H,3-4,11-12H2/b15-7+,16-8+
InChIKey LNKNETAYXQLOBY-BGPOSVGRSA-N
Molecular Weight 348.354 g/mol
SMILES C1(=O)\C(=C\c2cc3c(OCO3)cc2)CC\C1=C\c1cc2c(OCO2)cc1
SPLASH splash10-0udj-9823000000-a5af1ac6fd5b3e534f66
Synonyms (2E,5E)-2,5-bis(1,3-benzodioxol-5-ylmethylidene)-1-cyclopentanone (2E,5E)-2,5-bis(1,3-benzodioxol-5-ylmethylidene)cyclopentan-1-one (2E,5E)-2,5-dipiperonylidenecyclopentanone 2,5-bis(1,3-benzodioxol-5-ylmethylene)cyclopentanone 2,5-Dipiperonylidene-1-cyclopentanone
Wiley ID 1468182