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(Z)-(5-(4-nitrophenyl)-1-phenylpenta-2,4-diynylidene)(2,4,6-tri-tert-butylphenyl)phosphine

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(Z)-(5-(4-nitrophenyl)-1-phenylpenta-2,4-diynylidene)(2,4,6-tri-tert-butylphenyl)phosphine
SpectraBase Compound ID 2f9ZAwdSksd
InChI InChI=1S/C35H38NO2P/c1-33(2,3)27-23-29(34(4,5)6)32(30(24-27)35(7,8)9)39-31(26-16-11-10-12-17-26)18-14-13-15-25-19-21-28(22-20-25)36(37)38/h10-12,16-17,19-24H,1-9H3
InChIKey AJJTYBXOUHPANS-UHFFFAOYSA-N
Mol Weight 535.7 g/mol
Molecular Formula C35H38NO2P
Exact Mass 535.264016 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LFL1q5w9P7m
Name (Z)-(5-(4-Nitrophenyl)-1-phenylpenta-2,4-diynylidene)(2,4,6-tri-tert-butylphenyl)phosphine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 535.264016464 u
Formula C35H38NO2P
InChI InChI=1S/C35H38NO2P/c1-33(2,3)27-23-29(34(4,5)6)32(30(24-27)35(7,8)9)39-31(26-16-11-10-12-17-26)18-14-13-15-25-19-21-28(22-20-25)36(37)38/h10-12,16-17,19-24H,1-9H3
InChIKey AJJTYBXOUHPANS-UHFFFAOYSA-N
Molecular Weight 535.668 g/mol
SMILES C=1(\P=C/(C#CC#CC=2C=CC(N(=O)=O)=CC2)C=2C=CC=CC2)C(=CC(=CC1C(C)(C)C)C(C)(C)C)C(C)(C)C