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3,4-xylyl phosphate

View entire compound with spectra: 7 NMR, and 1 FTIR

3,4-xylyl phosphate
SpectraBase Compound ID 4lkjHckvyrZ
InChI InChI=1S/C24H27O4P/c1-16-7-10-22(13-19(16)4)26-29(25,27-23-11-8-17(2)20(5)14-23)28-24-12-9-18(3)21(6)15-24/h7-15H,1-6H3
InChIKey BCTKCHOESSAGCN-UHFFFAOYSA-N
Mol Weight 410.45 g/mol
Molecular Formula C24H27O4P
Exact Mass 410.164696 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4E8FC9SYqtf
Name Phosphoric acid, 3,4-xylyl ester
CAS Registry Number 3862-11-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C24H27O4P
InChI InChI=1S/C24H27O4P/c1-16-7-10-22(13-19(16)4)26-29(25,27-23-11-8-17(2)20(5)14-23)28-24-12-9-18(3)21(6)15-24/h7-15H,1-6H3
InChIKey BCTKCHOESSAGCN-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference G.W. Buchanan, R.H. Wightman, Org. Magn. Resonance 19, 98 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3