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3-[(Diisopropylamino)-(4-pyren-1-ylbutoxy)phosphanyl]oxypropionitrile
SpectraBase Compound ID 8XUHSiOMqTt
InChI InChI=1S/C29H35N2O2P/c1-21(2)31(22(3)4)34(33-20-8-18-30)32-19-6-5-9-23-12-13-26-15-14-24-10-7-11-25-16-17-27(23)29(26)28(24)25/h7,10-17,21-22H,5-6,8-9,19-20H2,1-4H3
InChIKey DYKZQUCEFMNQFB-UHFFFAOYSA-N
Mol Weight 474.6 g/mol
Molecular Formula C29H35N2O2P
Exact Mass 474.243615 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ESwT18ygCTe
Name 3-[(Diisopropylamino)-(4-pyren-1-ylbutoxy)phosphanyl]oxypropionitrile
Comments Computed using HOSE algorithm
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Exact Mass 474.243615371 u
Formula C29H35N2O2P
InChI InChI=1S/C29H35N2O2P/c1-21(2)31(22(3)4)34(33-20-8-18-30)32-19-6-5-9-23-12-13-26-15-14-24-10-7-11-25-16-17-27(23)29(26)28(24)25/h7,10-17,21-22H,5-6,8-9,19-20H2,1-4H3
InChIKey DYKZQUCEFMNQFB-UHFFFAOYSA-N
Molecular Weight 474.585 g/mol
SMILES C(N(P(OCCC#N)OCCCCC1=CC=C2C=CC3=CC=CC=4C=CC1=C2C34)C(C)C)(C)C