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3-(1,3-benzodioxol-5-yl)propanenitrile

View entire compound with spectra: 3 MS (GC)

3-(1,3-benzodioxol-5-yl)propanenitrile
SpectraBase Compound ID JYEwchMD043
InChI InChI=1S/C10H9NO2/c11-5-1-2-8-3-4-9-10(6-8)13-7-12-9/h3-4,6H,1-2,7H2
InChIKey WCEKXUNMOYEMDZ-UHFFFAOYSA-N
Mol Weight 175.19 g/mol
Molecular Formula C10H9NO2
Exact Mass 175.063329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5j4xR3u0hsJ
Name 3-(1,3-benzodioxol-5-yl)propanenitrile
CAS Registry Number 5703-61-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H9NO2
InChI InChI=1S/C10H9NO2/c11-5-1-2-8-3-4-9-10(6-8)13-7-12-9/h3-4,6H,1-2,7H2
InChIKey WCEKXUNMOYEMDZ-UHFFFAOYSA-N
Molecular Weight 175.187 g/mol
SMILES C(#N)CCc1cc2OCOc2cc1
SPLASH splash10-07c7-9300000000-419ac7e3b3cc7e4c486d
Source of Spectrum W5-11531-0-0
Synonyms 3-(1,3-benzodioxol-5-yl)propionitrile
Wiley ID 1171441