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2H-Pyrrole-5-carbonitrile, 4-bromo-3,4-dihydro-2,2-dimethyl-3-phenyl-, 1-oxide
SpectraBase Compound ID 9EuSCcqUtgR
InChI InChI=1S/C13H13BrN2O/c1-13(2)11(9-6-4-3-5-7-9)12(14)10(8-15)16(13)17/h3-7,11-12H,1-2H3
InChIKey IADMILVYRCAENG-UHFFFAOYSA-N
Mol Weight 293.16 g/mol
Molecular Formula C13H13BrN2O
Exact Mass 292.021126 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzU3ZQ3XCds
Name 2H-Pyrrole-5-carbonitrile, 4-bromo-3,4-dihydro-2,2-dimethyl-3-phenyl-, 1-oxide
Alternate Name(s) 3-Bromo-2-cyano-5,5-dimethyl-4-phenyl-1-pyrroline 1-oxide 4-Bromo-2,2-dimethyl-3-phenyl-3,4-dihydro-2H-pyrrole-5-carbonitrile 1-oxide
CAS Registry Number 58134-20-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13BrN2O
InChI InChI=1S/C13H13BrN2O/c1-13(2)11(9-6-4-3-5-7-9)12(14)10(8-15)16(13)17/h3-7,11-12H,1-2H3
InChIKey IADMILVYRCAENG-UHFFFAOYSA-N
Molecular Weight 293.164 g/mol
SMILES C1(=[N+](C(C(C1Br)c1ccccc1)(C)C)[O-])C#N
SPLASH splash10-06r6-9460000000-404de5851296ec7264b7
Source of Spectrum B-32-1791-0
Wiley ID 1295049