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bis(N',N"-Dicyclohexyl)-3,3'-N-(benzophenone)guanidine
SpectraBase Compound ID EZeQGF6xAKa
InChI InChI=1S/C39H56N6O/c46-37(29-15-13-25-35(27-29)44-38(40-31-17-5-1-6-18-31)41-32-19-7-2-8-20-32)30-16-14-26-36(28-30)45-39(42-33-21-9-3-10-22-33)43-34-23-11-4-12-24-34/h13-16,25-28,31-34H,1-12,17-24H2,(H2,40,41,44)(H2,42,43,45)
InChIKey PGPNOTCGDZXTFE-UHFFFAOYSA-N
Mol Weight 624.9 g/mol
Molecular Formula C39H56N6O
Exact Mass 624.45156 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FqCaeQMT77U
Name bis(N',N"-Dicyclohexyl)-3,3'-N-(benzophenone)guanidine
Alternate Name(s) N',N''-bis(Dicyclohexyl) 3,3'-[N-benzophenone]-diguanidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H56N6O
InChI InChI=1S/C39H56N6O/c46-37(29-15-13-25-35(27-29)44-38(40-31-17-5-1-6-18-31)41-32-19-7-2-8-20-32)30-16-14-26-36(28-30)45-39(42-33-21-9-3-10-22-33)43-34-23-11-4-12-24-34/h13-16,25-28,31-34H,1-12,17-24H2,(H2,40,41,44)(H2,42,43,45)
InChIKey PGPNOTCGDZXTFE-UHFFFAOYSA-N
Molecular Weight 624.918 g/mol
SMILES N(C(=Nc1cc(C(c2cc(N=C(NC3CCCCC3)NC3CCCCC3)ccc2)=O)ccc1)NC1CCCCC1)C1CCCCC1
SPLASH splash10-08mi-0920000000-4c2d627e98b14f8b0a6e
Source of Spectrum Y4-89-620-9
Wiley ID 1550348