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[5-(5,5-Dimethyl-[1,3]dioxan-2-yl)-1H-pyrrol-3-yl]-acetonitrile

View entire compound with spectra: 2 MS (GC)

[5-(5,5-Dimethyl-[1,3]dioxan-2-yl)-1H-pyrrol-3-yl]-acetonitrile
SpectraBase Compound ID 8ZCvwjtFhs
InChI InChI=1S/C12H16N2O2/c1-12(2)7-15-11(16-8-12)10-5-9(3-4-13)6-14-10/h5-6,11,14H,3,7-8H2,1-2H3
InChIKey PLSBSZYMRXBUCJ-UHFFFAOYSA-N
Mol Weight 220.27 g/mol
Molecular Formula C12H16N2O2
Exact Mass 220.121178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1X7NCTQpIHG
Name [5-(5,5-Dimethyl-[1,3]dioxan-2-yl)-1H-pyrrol-3-yl]-acetonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16N2O2
InChI InChI=1S/C12H16N2O2/c1-12(2)7-15-11(16-8-12)10-5-9(3-4-13)6-14-10/h5-6,11,14H,3,7-8H2,1-2H3
InChIKey PLSBSZYMRXBUCJ-UHFFFAOYSA-N
Molecular Weight 220.272 g/mol
SMILES [nH]1cc(cc1C1OCC(CO1)(C)C)CC#N
SPLASH splash10-001i-6910000000-023c18dacf3f93021a4e
Synonyms 2-[5-(5,5-dimethyl-1,3-dioxan-2-yl)-1H-pyrrol-3-yl]acetonitrile 2-[5-(5,5-dimethyl-1,3-dioxan-2-yl)-1H-pyrrol-3-yl]ethanenitrile
Wiley ID 1486879