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2H-Pyrrole-5-carbonitrile, 3,4-dihydro-2,2-dimethyl-4-(nitrooxy)-, 1-oxide
SpectraBase Compound ID 3eWo4YmPoG9
InChI InChI=1S/C7H9N3O4/c1-7(2)3-6(14-10(12)13)5(4-8)9(7)11/h6H,3H2,1-2H3
InChIKey JKTKRKQTIDEZGR-UHFFFAOYSA-N
Mol Weight 199.17 g/mol
Molecular Formula C7H9N3O4
Exact Mass 199.059306 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Hai9qWcsw9
Name 2H-Pyrrole-5-carbonitrile, 3,4-dihydro-2,2-dimethyl-4-(nitrooxy)-, 1-oxide
CAS Registry Number 58134-28-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H9N3O4
InChI InChI=1S/C7H9N3O4/c1-7(2)3-6(14-10(12)13)5(4-8)9(7)11/h6H,3H2,1-2H3
InChIKey JKTKRKQTIDEZGR-UHFFFAOYSA-N
Molecular Weight 199.166 g/mol
SMILES C1(=[N+](C(CC1ON(=O)=O)(C)C)[O-])C#N
SPLASH splash10-0a4v-9200000000-5e83b5f76c28fe16a31e
Source of Spectrum B-32-1791-0
Synonyms 2-Cyano-5,5-dimethyl-1-pyrrol-3-yl nitrate 1-oxide 5-cyano-2,2-dimethyl-1-oxido-3,4-dihydro-2H-pyrrol-4-yl nitrate
Wiley ID 1196464