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3-Amino-4-chloro-5-methyl-4-nitro-2-cyclopentene-1,1,2-tricarbonitrile
SpectraBase Compound ID 4PO09fOcE65
InChI InChI=1S/C9H6ClN5O2/c1-5-8(3-12,4-13)6(2-11)7(14)9(5,10)15(16)17/h5H,14H2,1H3
InChIKey CWRGCDKIXIGGAV-UHFFFAOYSA-N
Mol Weight 251.63 g/mol
Molecular Formula C9H6ClN5O2
Exact Mass 251.021002 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7YgsUBS6iQw
Name 3-Amino-4-chloro-5-methyl-4-nitro-2-cyclopentene-1,1,2-tricarbonitrile
CAS Registry Number 118644-90-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H6ClN5O2
InChI InChI=1S/C9H6ClN5O2/c1-5-8(3-12,4-13)6(2-11)7(14)9(5,10)15(16)17/h5H,14H2,1H3
InChIKey CWRGCDKIXIGGAV-UHFFFAOYSA-N
Molecular Weight 251.633 g/mol
SMILES NC=1C(N(=O)=O)(C(C(C#N)(C#N)C1C#N)C)Cl
SPLASH splash10-0a4l-9820000000-54e4a4abc00c9190ae2f
Synonyms 2-Amino-3-nitro-3-chloro-4-methyl-1,5,5-tricyano-1-cyclopentene 3-Amino-4-chloro-5-methyl-4-nitro-cyclopent-2-ene-1,1,2-tricarbonitrile 3-Azanyl-4-chloranyl-5-methyl-4-nitro-cyclopent-2-ene-1,1,2-tricarbonitrile
Wiley ID 1457371