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3-(Diphenylphosphatoxy)-5-N-phenylpropargylamino-2-methyl-2-nitropentane

View entire compound with spectra: 2 NMR

3-(Diphenylphosphatoxy)-5-N-phenylpropargylamino-2-methyl-2-nitropentane
SpectraBase Compound ID Gi3WbrF0ns6
InChI InChI=1S/C27H29N2O6P/c1-27(2,29(30)31)26(20-22-28-21-12-15-23-13-6-3-7-14-23)35-36(32,33-24-16-8-4-9-17-24)34-25-18-10-5-11-19-25/h3-11,13-14,16-19,26,28H,20-22H2,1-2H3
InChIKey GQCBLIQHGKGPKH-UHFFFAOYSA-N
Mol Weight 508.51 g/mol
Molecular Formula C27H29N2O6P
Exact Mass 508.176324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IOlKnxhcZlK
Name 3-(Diphenylphosphatoxy)-5-N-phenylpropargylamino-2-methyl-2-nitropentane
Comments Computed using HOSE algorithm
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Exact Mass 508.176323654 u
Formula C27H29N2O6P
InChI InChI=1S/C27H29N2O6P/c1-27(2,29(30)31)26(20-22-28-21-12-15-23-13-6-3-7-14-23)35-36(32,33-24-16-8-4-9-17-24)34-25-18-10-5-11-19-25/h3-11,13-14,16-19,26,28H,20-22H2,1-2H3
InChIKey GQCBLIQHGKGPKH-UHFFFAOYSA-N
Molecular Weight 508.511 g/mol
SMILES C(NCCC(C(N(=O)=O)(C)C)OP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1)C#CC1=CC=CC=C1