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3-Chloro-4-methylphenyl-(11H,16H-5,6-dioxa-11A,15B-diaza-5A-lambda(5)-phospha-3-methylbenzo-[B]-naphtho-[2,3-L]-fluoren-5-L)-ether

View entire compound with spectra: 2 NMR

3-Chloro-4-methylphenyl-(11H,16H-5,6-dioxa-11A,15B-diaza-5A-lambda(5)-phospha-3-methylbenzo-[B]-naphtho-[2,3-L]-fluoren-5-L)-ether
SpectraBase Compound ID 1UBiRJzKGF
InChI InChI=1S/C29H26ClN2O3P/c1-19-8-12-28-22(14-19)17-31-26-6-4-5-7-27(26)32-18-23-15-20(2)9-13-29(23)35-36(31,32,34-28)33-24-11-10-21(3)25(30)16-24/h4-16H,17-18H2,1-3H3
InChIKey IJYIWQRMBZZPFZ-UHFFFAOYSA-N
Mol Weight 516.96 g/mol
Molecular Formula C29H26ClN2O3P
Exact Mass 516.136957 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EiJIjJSAK2T
Name 3-Chloro-4-methylphenyl-(11H,16H-5,6-dioxa-11A,15B-diaza-5A-lambda(5)-phospha-3-methylbenzo-[B]-naphtho-[2,3-L]-fluoren-5-L)-ether
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 516.136957400 u
Formula C29H26ClN2O3P
InChI InChI=1S/C29H26ClN2O3P/c1-19-8-12-28-22(14-19)17-31-26-6-4-5-7-27(26)32-18-23-15-20(2)9-13-29(23)35-36(31,32,34-28)33-24-11-10-21(3)25(30)16-24/h4-16H,17-18H2,1-3H3
InChIKey IJYIWQRMBZZPFZ-UHFFFAOYSA-N
Molecular Weight 516.965 g/mol
SMILES C=12OP34(N(CC2=CC(C)=CC1)C1=CC=CC=C1N3CC1=CC(=CC=C1O4)C)OC1=CC(Cl)=C(C)C=C1