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2H-Pyrrole-5-carbonitrile, 3,4-dihydro-4-hydroxy-2,2,3-trimethyl-, 1-oxide
SpectraBase Compound ID DctVsyvzgUk
InChI InChI=1S/C8H12N2O2/c1-5-7(11)6(4-9)10(12)8(5,2)3/h5,7,11H,1-3H3
InChIKey SLUWWQMGQHXPCL-UHFFFAOYSA-N
Mol Weight 168.2 g/mol
Molecular Formula C8H12N2O2
Exact Mass 168.089878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7hGsyT36TFt
Name 2H-Pyrrole-5-carbonitrile, 3,4-dihydro-4-hydroxy-2,2,3-trimethyl-, 1-oxide
CAS Registry Number 72700-95-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12N2O2
InChI InChI=1S/C8H12N2O2/c1-5-7(11)6(4-9)10(12)8(5,2)3/h5,7,11H,1-3H3
InChIKey SLUWWQMGQHXPCL-UHFFFAOYSA-N
Molecular Weight 168.196 g/mol
SMILES OC1C(=[N+](C(C1C)(C)C)[O-])C#N
SPLASH splash10-05fu-9000000000-01e32bfbef1d966575f3
Source of Spectrum B-32-1792-0
Synonyms 2-Cyano-3-hydroxy-4,5,5-trimethyl-1-pyrroline 1-oxide 4-Hydroxy-2,2,3-trimethyl-3,4-dihydro-2H-pyrrole-5-carbonitrile 1-oxide
Wiley ID 1164150