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3-(Diisopropylphosphoryl)benzoic acid
SpectraBase Compound ID 8tEeeKjJ2wq
InChI InChI=1S/C13H19O3P/c1-9(2)17(16,10(3)4)12-7-5-6-11(8-12)13(14)15/h5-10H,1-4H3,(H,14,15)
InChIKey GKHMABCFFMDSKK-UHFFFAOYSA-N
Mol Weight 254.27 g/mol
Molecular Formula C13H19O3P
Exact Mass 254.107181 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L8awn5HZDQO
Name 3-(Diisopropylphosphoryl)benzoic acid
Alternate Name(s) 3-(Diisopropyl-phosphinoyl)-benzoic acid 3-Di(propan-2-yl)phosphorylbenzoic acid
CAS Registry Number 53824-72-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19O3P
InChI InChI=1S/C13H19O3P/c1-9(2)17(16,10(3)4)12-7-5-6-11(8-12)13(14)15/h5-10H,1-4H3,(H,14,15)
InChIKey GKHMABCFFMDSKK-UHFFFAOYSA-N
Molecular Weight 254.266 g/mol
SMILES OC(c1cc(P(C(C)C)(C(C)C)=O)ccc1)=O
SPLASH splash10-03xr-5950000000-47b4825f494bd5904311
Wiley ID 1459251