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5-(1,3-benzodioxol-5-yl)-2,3-bis(oxidanyl)-3-phenyl-cyclopentene-1-carbonitrile

View entire compound with spectra: 1 MS (GC)

5-(1,3-benzodioxol-5-yl)-2,3-bis(oxidanyl)-3-phenyl-cyclopentene-1-carbonitrile
SpectraBase Compound ID LLLPWoyewPH
InChI InChI=1S/C19H15NO4/c20-10-15-14(12-6-7-16-17(8-12)24-11-23-16)9-19(22,18(15)21)13-4-2-1-3-5-13/h1-8,14,21-22H,9,11H2
InChIKey WPFKRHUUHBWDCP-UHFFFAOYSA-N
Mol Weight 321.33 g/mol
Molecular Formula C19H15NO4
Exact Mass 321.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B7RmSRGIzuD
Name 5-(1,3-benzodioxol-5-yl)-2,3-bis(oxidanyl)-3-phenyl-cyclopentene-1-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H15NO4
InChI InChI=1S/C19H15NO4/c20-10-15-14(12-6-7-16-17(8-12)24-11-23-16)9-19(22,18(15)21)13-4-2-1-3-5-13/h1-8,14,21-22H,9,11H2
InChIKey WPFKRHUUHBWDCP-UHFFFAOYSA-N
Molecular Weight 321.332 g/mol
SMILES OC1(CC(C(=C1O)C#N)c1cc2OCOc2cc1)c1ccccc1
SPLASH splash10-00di-0921000000-58d763e4c245a243f068
Source of Spectrum CV-0-290-8
Synonyms 5-(1,3-benzodioxol-5-yl)-2,3-dihydroxy-3-phenyl-1-cyclopentenecarbonitrile 5-(1,3-benzodioxol-5-yl)-2,3-dihydroxy-3-phenyl-cyclopentene-1-carbonitrile
Wiley ID 872659