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bis(t-Butyl) 2-(2'-aminobenzimidazol)-3-(triphenylphosphoranylidene)butanedioate

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bis(t-Butyl) 2-(2'-aminobenzimidazol)-3-(triphenylphosphoranylidene)butanedioate
SpectraBase Compound ID 2ykmihvGues
InChI InChI=1S/C37H40N3O4P/c1-36(2,3)43-33(41)31(40-30-25-17-16-24-29(30)39-35(40)38)32(34(42)44-37(4,5)6)45(26-18-10-7-11-19-26,27-20-12-8-13-21-27)28-22-14-9-15-23-28/h7-25,31H,1-6H3,(H2-,38,39,42)/b34-32-
InChIKey HKNOWSWPWKQVMU-YJKCNMNRSA-N
Mol Weight 621.7 g/mol
Molecular Formula C37H40N3O4P
Exact Mass 621.275644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4KqU5Oc7wjC
Name bis(T-Butyl) 2-(2'-aminobenzimidazol)-3-(triphenylphosphoranylidene)butanedioate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 621.275643774 u
Formula C37H40N3O4P
InChI InChI=1S/C37H40N3O4P/c1-36(2,3)43-33(41)31(40-30-25-17-16-24-29(30)39-35(40)38)32(34(42)44-37(4,5)6)45(26-18-10-7-11-19-26,27-20-12-8-13-21-27)28-22-14-9-15-23-28/h7-25,31H,1-6H3,(H2-,38,39,42)/b34-32-
InChIKey HKNOWSWPWKQVMU-YJKCNMNRSA-N
Molecular Weight 621.718 g/mol
SMILES C(\C(=C\(OC(C)(C)C)[O-])[P+](C1=CC=CC=C1)(C=1C=CC=CC1)C1=CC=CC=C1)(N1C(=NC=2C1=CC=CC2)N)C(OC(C)(C)C)=O