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2-Amino-4-cyclopropyl-6-(4-iodophenyl)-2,4-cyclohexadiene-1,1,3-tricarbonitrile
SpectraBase Compound ID E6A04noqn0i
InChI InChI=1S/C18H13IN4/c19-13-5-3-12(4-6-13)16-7-14(11-1-2-11)15(8-20)17(23)18(16,9-21)10-22/h3-7,11,16H,1-2,23H2
InChIKey FGYMDHSYXPXBQB-UHFFFAOYSA-N
Mol Weight 412.23 g/mol
Molecular Formula C18H13IN4
Exact Mass 412.018491 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3J1LNL064UA
Name 2-Amino-4-cyclopropyl-6-(4-iodophenyl)-2,4-cyclohexadiene-1,1,3-tricarbonitrile
CAS Registry Number 339200-22-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13IN4
InChI InChI=1S/C18H13IN4/c19-13-5-3-12(4-6-13)16-7-14(11-1-2-11)15(8-20)17(23)18(16,9-21)10-22/h3-7,11,16H,1-2,23H2
InChIKey FGYMDHSYXPXBQB-UHFFFAOYSA-N
Molecular Weight 412.234 g/mol
SMILES NC1=C(C#N)C(=CC(C1(C#N)C#N)c1ccc(cc1)I)C1CC1
SPLASH splash10-0fl0-2940100000-5fa9fc1a74602bea4932
Source of Spectrum AD-0-2532-0
Synonyms 2,4-Cyclohexadiene-1,1,3-tricarbonitrile, 2-amino-4-cyclopropyl-6-(4-iodophenyl)- 2-Amino-4-cyclopropyl-6-(4-iodophenyl)cyclohexa-2,4-diene-1,1,3-tricarbonitrile 2-Azanyl-4-cyclopropyl-6-(4-iodophenyl)cyclohexa-2,4-diene-1,1,3-tricarbonitrile
Wiley ID 1426355