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diisopropyl 3-methoxycarbonyl-6-methylbenzylphosphonate
SpectraBase Compound ID 2WlpdDdJFej
InChI InChI=1S/C16H25O5P/c1-11(2)20-22(18,21-12(3)4)10-15-9-14(16(17)19-6)8-7-13(15)5/h7-9,11-12H,10H2,1-6H3
InChIKey WQPMLTWCNKQTNC-UHFFFAOYSA-N
Mol Weight 328.34 g/mol
Molecular Formula C16H25O5P
Exact Mass 328.143961 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GS2xFFZlH66
Name diisopropyl 3-methoxycarbonyl-6-methylbenzylphosphonate
Alternate Name(s) Methyl 3-[(diisopropoxyphosphoryl)methyl]-4-methylbenzoate
CAS Registry Number 126578-96-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H25O5P
InChI InChI=1S/C16H25O5P/c1-11(2)20-22(18,21-12(3)4)10-15-9-14(16(17)19-6)8-7-13(15)5/h7-9,11-12H,10H2,1-6H3
InChIKey WQPMLTWCNKQTNC-UHFFFAOYSA-N
Molecular Weight 328.345 g/mol
SMILES C(P(=O)(OC(C)C)OC(C)C)c1cc(C(=O)OC)ccc1C
SPLASH splash10-001i-3930000000-1e7f477c63ca0f0f184a
Source of Spectrum K-123-1385-3
Wiley ID 1326061