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Butylphosphonic acid, isobutyl 5-methoxy-3-methylpentyl ester
SpectraBase Compound ID 6KLk6ZhYpB9
InChI InChI=1S/C15H33O4P/c1-6-7-12-20(16,19-13-14(2)3)18-11-9-15(4)8-10-17-5/h14-15H,6-13H2,1-5H3
InChIKey YOPDTFMBLQPXHO-UHFFFAOYSA-N
Mol Weight 308.4 g/mol
Molecular Formula C15H33O4P
Exact Mass 308.211647 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CXdTzNT6jn0
Name Butylphosphonic acid, isobutyl 5-methoxy-3-methylpentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 308.211646537 u
Formula C15H33O4P
InChI InChI=1S/C15H33O4P/c1-6-7-12-20(16,19-13-14(2)3)18-11-9-15(4)8-10-17-5/h14-15H,6-13H2,1-5H3
InChIKey YOPDTFMBLQPXHO-UHFFFAOYSA-N
Molecular Weight 308.399 g/mol
SMILES C(OP(CCCC)(OCC(C)C)=O)CC(CCOC)C