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[CH(2)-(6-T-BU-4-ME-C6H2O)(2)]-P(N-BU)-(1,2-O2C6CL4);MAJOR-ISOMER

View entire compound with spectra: 3 NMR

[CH(2)-(6-T-BU-4-ME-C6H2O)(2)]-P(N-BU)-(1,2-O2C6CL4);MAJOR-ISOMER
SpectraBase Compound ID CEjVBNs6bSY
InChI InChI=1S/C33H39Cl4O4P/c1-10-11-12-42(40-30-26(36)24(34)25(35)27(37)31(30)41-42)38-28-20(13-18(2)15-22(28)32(4,5)6)17-21-14-19(3)16-23(29(21)39-42)33(7,8)9/h13-16H,10-12,17H2,1-9H3
InChIKey XXDWFUZKHIDRFZ-UHFFFAOYSA-N
Mol Weight 672.5 g/mol
Molecular Formula C33H39Cl4O4P
Exact Mass 670.134008 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9XUJFgsCiCk
Name [ch(2)-(6-T-bu-4-me-C6H2O)(2)]-p(N-bu)-(1,2-O2C6CL4)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 670.134007530 u
Formula C33H39Cl4O4P
InChI InChI=1S/C33H39Cl4O4P/c1-10-11-12-42(40-30-26(36)24(34)25(35)27(37)31(30)41-42)38-28-20(13-18(2)15-22(28)32(4,5)6)17-21-14-19(3)16-23(29(21)39-42)33(7,8)9/h13-16H,10-12,17H2,1-9H3
InChIKey XXDWFUZKHIDRFZ-UHFFFAOYSA-N
Molecular Weight 672.457 g/mol
SMILES C1(Cl)=C(Cl)C(Cl)=C(Cl)C=2OP3(OC12)(CCCC)OC1=C(C=C(C=C1C(C)(C)C)C)CC1=C(O3)C(=CC(=C1)C)C(C)(C)C