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1,3-Benzodioxole-5-acetonitrile, .alpha.-(benzoyloxy)-
SpectraBase Compound ID KMcsNgEnlC6
InChI InChI=1S/C16H11NO4/c17-9-15(21-16(18)11-4-2-1-3-5-11)12-6-7-13-14(8-12)20-10-19-13/h1-8,15H,10H2
InChIKey MKOBEQQXRJAAOX-UHFFFAOYSA-N
Mol Weight 281.27 g/mol
Molecular Formula C16H11NO4
Exact Mass 281.068808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LMAqbsYrCxC
Name 1,3-Benzodioxole-5-acetonitrile, .alpha.-(benzoyloxy)-
CAS Registry Number 102034-68-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11NO4
InChI InChI=1S/C16H11NO4/c17-9-15(21-16(18)11-4-2-1-3-5-11)12-6-7-13-14(8-12)20-10-19-13/h1-8,15H,10H2
InChIKey MKOBEQQXRJAAOX-UHFFFAOYSA-N
Molecular Weight 281.267 g/mol
SMILES C(OC(c1cc2OCOc2cc1)C#N)(=O)c1ccccc1
SPLASH splash10-0a4i-0920000000-2c9fc2119d3da4b677b1
Source of Spectrum F-41-2887-0
Synonyms 1,3-benzodioxol-5-yl(cyano)methyl benzoate 2-Benzoyloxy-2-(3',4'-methylenedioxyphenyl)-acetonitrile
Wiley ID 1284900