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3,4-Dihydro-2H-1,5-benzodioxepin-7-ylacetonitrile

View entire compound with spectra: 1 MS (GC)

3,4-Dihydro-2H-1,5-benzodioxepin-7-ylacetonitrile
SpectraBase Compound ID CBvyXSA4Cqx
InChI InChI=1S/C11H11NO2/c12-5-4-9-2-3-10-11(8-9)14-7-1-6-13-10/h2-3,8H,1,4,6-7H2
InChIKey VDQDOPRGIPEKCT-UHFFFAOYSA-N
Mol Weight 189.21 g/mol
Molecular Formula C11H11NO2
Exact Mass 189.078979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JpQddXhJ4cO
Name 3,4-Dihydro-2H-1,5-benzodioxepin-7-ylacetonitrile
CAS Registry Number 162665-09-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11NO2
InChI InChI=1S/C11H11NO2/c12-5-4-9-2-3-10-11(8-9)14-7-1-6-13-10/h2-3,8H,1,4,6-7H2
InChIKey VDQDOPRGIPEKCT-UHFFFAOYSA-N
Molecular Weight 189.214 g/mol
SMILES C1Oc2ccc(cc2OCC1)CC#N
SPLASH splash10-01pc-7900000000-746ebe4c26b4ed641842
Source of Spectrum AD-0-2532-0
Synonyms 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetonitrile 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanenitrile Acetnitrile, 2-(3,4-trimethylenedioxyphenyl)-
Wiley ID 1423876