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Ditritylcarbodiimide

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

Ditritylcarbodiimide
SpectraBase Compound ID KKNY98SMnHZ
InChI InChI=1S/C39H30N2/c1-7-19-32(20-8-1)38(33-21-9-2-10-22-33,34-23-11-3-12-24-34)40-31-41-39(35-25-13-4-14-26-35,36-27-15-5-16-28-36)37-29-17-6-18-30-37/h1-30H
InChIKey UCWBROASQNFIQO-UHFFFAOYSA-N
Mol Weight 526.7 g/mol
Molecular Formula C39H30N2
Exact Mass 526.240899 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BBzTEPuQX76
Name Ditritylcarbodiimide
Comments Computed using HOSE algorithm
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Exact Mass 526.240898974 u
Formula C39H30N2
InChI InChI=1S/C39H30N2/c1-7-19-32(20-8-1)38(33-21-9-2-10-22-33,34-23-11-3-12-24-34)40-31-41-39(35-25-13-4-14-26-35,36-27-15-5-16-28-36)37-29-17-6-18-30-37/h1-30H
InChIKey UCWBROASQNFIQO-UHFFFAOYSA-N
Molecular Weight 526.683 g/mol
SMILES C=1C(=CC=CC1)C(C=1C=CC=CC1)(C=1C=CC=CC1)N=C=NC(C=1C=CC=CC1)(C=1C=CC=CC1)C=1C=CC=CC1