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2H-Pyrrole-5-carbonitrile, 4-chloro-3,4-dihydro-2,2,3-trimethyl-, 1-oxide
SpectraBase Compound ID 6A2F5z6MnsA
InChI InChI=1S/C8H11ClN2O/c1-5-7(9)6(4-10)11(12)8(5,2)3/h5,7H,1-3H3
InChIKey UJTUXTFBHHYLLZ-UHFFFAOYSA-N
Mol Weight 186.64 g/mol
Molecular Formula C8H11ClN2O
Exact Mass 186.055991 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID He6Z02xjyZl
Name 2H-Pyrrole-5-carbonitrile, 4-chloro-3,4-dihydro-2,2,3-trimethyl-, 1-oxide
CAS Registry Number 72700-99-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H11ClN2O
InChI InChI=1S/C8H11ClN2O/c1-5-7(9)6(4-10)11(12)8(5,2)3/h5,7H,1-3H3
InChIKey UJTUXTFBHHYLLZ-UHFFFAOYSA-N
Molecular Weight 186.642 g/mol
SMILES C1(=[N+](C(C(C1Cl)C)(C)C)[O-])C#N
SPLASH splash10-0udu-9700000000-ac2607be22db9fce73d8
Source of Spectrum B-32-1793-0
Synonyms 3-Chloro-2-cyano-4,5,5-trimethyl-1-pyrroline 1-oxide 4-Chloro-2,2,3-trimethyl-3,4-dihydro-2H-pyrrole-5-carbonitrile 1-oxide
Wiley ID 1182387