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2H-Pyrrole-5-carbonitrile, 3,4-dihydro-2,2-dimethyl-3-phenyl-, 1-oxide
SpectraBase Compound ID KkqK3TqwNAZ
InChI InChI=1S/C13H14N2O/c1-13(2)12(8-11(9-14)15(13)16)10-6-4-3-5-7-10/h3-7,12H,8H2,1-2H3
InChIKey JLQLCSBJDFHDEV-UHFFFAOYSA-N
Mol Weight 214.27 g/mol
Molecular Formula C13H14N2O
Exact Mass 214.110613 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EIuO4OWdhNt
Name 2H-Pyrrole-5-carbonitrile, 3,4-dihydro-2,2-dimethyl-3-phenyl-, 1-oxide
CAS Registry Number 58134-15-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14N2O
InChI InChI=1S/C13H14N2O/c1-13(2)12(8-11(9-14)15(13)16)10-6-4-3-5-7-10/h3-7,12H,8H2,1-2H3
InChIKey JLQLCSBJDFHDEV-UHFFFAOYSA-N
Molecular Weight 214.268 g/mol
SMILES C1([N+](=C(CC1c1ccccc1)C#N)[O-])(C)C
SPLASH splash10-0wtc-2920000000-dd269bc66d5dbfbc7a65
Source of Spectrum B-32-1780-0
Synonyms 5,5-Dimethyl-1-oxido-4-phenyl-3,4-dihydropyrrol-1-ium-2-carbonitrile 5,5-Dimethyl-1-oxidanidyl-4-phenyl-3,4-dihydropyrrol-1-ium-2-carbonitrile
Wiley ID 1213774