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Ethyl 3-((diisopropoxyphosphoryl)methyl)-4-methylbenzoate
SpectraBase Compound ID KYMzfPgkjAo
InChI InChI=1S/C17H27O5P/c1-7-20-17(18)15-9-8-14(6)16(10-15)11-23(19,21-12(2)3)22-13(4)5/h8-10,12-13H,7,11H2,1-6H3
InChIKey HWDTXKZXUPFTEC-UHFFFAOYSA-N
Mol Weight 342.37 g/mol
Molecular Formula C17H27O5P
Exact Mass 342.159611 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ERenjlBPJYr
Name diisopropyl 3-ethoxycarbonyl-6-methylbenzylphosphonate
Alternate Name(s) Ethyl 3-[(diisopropoxyphosphoryl)methyl]-4-methylbenzoate
CAS Registry Number 126578-98-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H27O5P
InChI InChI=1S/C17H27O5P/c1-7-20-17(18)15-9-8-14(6)16(10-15)11-23(19,21-12(2)3)22-13(4)5/h8-10,12-13H,7,11H2,1-6H3
InChIKey HWDTXKZXUPFTEC-UHFFFAOYSA-N
Molecular Weight 342.372 g/mol
SMILES C(P(=O)(OC(C)C)OC(C)C)c1cc(C(=O)OCC)ccc1C
SPLASH splash10-03e9-1690000000-f4001a715bf80a9d0c32
Source of Spectrum K-123-1385-3
Wiley ID 1336403