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Diisopropyl [2-(4'-methxoyphenyl)-4-oxopentyl]phosphonate

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Diisopropyl [2-(4'-methxoyphenyl)-4-oxopentyl]phosphonate
SpectraBase Compound ID 2te9N83vIJs
InChI InChI=1S/C18H29O5P/c1-13(2)22-24(20,23-14(3)4)12-17(19)11-15(5)16-7-9-18(21-6)10-8-16/h7-10,13-15H,11-12H2,1-6H3
InChIKey AMWUCZOYAFISNT-UHFFFAOYSA-N
Mol Weight 356.4 g/mol
Molecular Formula C18H29O5P
Exact Mass 356.175261 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I9sNTxSG94U
Name Diisopropyl [2-(4'-methxoyphenyl)-4-oxopentyl]phosphonate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 356.175261027 u
Formula C18H29O5P
InChI InChI=1S/C18H29O5P/c1-13(2)22-24(20,23-14(3)4)12-17(19)11-15(5)16-7-9-18(21-6)10-8-16/h7-10,13-15H,11-12H2,1-6H3
InChIKey AMWUCZOYAFISNT-UHFFFAOYSA-N
Molecular Weight 356.399 g/mol
SMILES C(P(=O)(OC(C)C)OC(C)C)C(CC(C1=CC=C(C=C1)OC)C)=O