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Heptanoic acid, 3-(diphenylphosphinyl)-1-methylpropyl ester
SpectraBase Compound ID GD47uH9wMzg
InChI InChI=1S/C23H31O3P/c1-3-4-5-12-17-23(24)26-19-18-20(2)27(25,21-13-8-6-9-14-21)22-15-10-7-11-16-22/h6-11,13-16,20H,3-5,12,17-19H2,1-2H3
InChIKey AENUOQSWXBHGIB-UHFFFAOYSA-N
Mol Weight 386.47 g/mol
Molecular Formula C23H31O3P
Exact Mass 386.201082 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H3dg8jCqbEP
Name Heptanoic acid, 3-(diphenylphosphinyl)-1-methylpropyl ester
Alternate Name(s) 3-(diphenylphosphoryl)butyl heptanoate 3-Diphenylphosphinylbutyl heptanoate
CAS Registry Number 101680-88-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H31O3P
InChI InChI=1S/C23H31O3P/c1-3-4-5-12-17-23(24)26-19-18-20(2)27(25,21-13-8-6-9-14-21)22-15-10-7-11-16-22/h6-11,13-16,20H,3-5,12,17-19H2,1-2H3
InChIKey AENUOQSWXBHGIB-UHFFFAOYSA-N
Molecular Weight 386.472 g/mol
SMILES c1(P(=O)(c2ccccc2)C(CCOC(=O)CCCCCC)C)ccccc1
SPLASH splash10-00di-0029000000-f7ffb84eccb93fc536e7
Source of Spectrum KC-1988-2974-7
Wiley ID 1362808