For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

para-Xylylenediphosphonic-acid-p,p'-dimethylester

View entire compound with spectra: 2 NMR

para-Xylylenediphosphonic-acid-p,p'-dimethylester
SpectraBase Compound ID 8aWTmp1ktmN
InChI InChI=1S/C12H20O6P2/c1-3-17-19(13,14)9-11-5-7-12(8-6-11)10-20(15,16)18-4-2/h5-8H,3-4,9-10H2,1-2H3,(H,13,14)(H,15,16)
InChIKey SBTNRUFVWZNIAA-UHFFFAOYSA-N
Mol Weight 322.23 g/mol
Molecular Formula C12H20O6P2
Exact Mass 322.073512 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID AC76TTRlRSJ
Name para-Xylylenediphosphonic-acid-p,p'-dimethylester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 322.073512354 u
Formula C12H20O6P2
InChI InChI=1S/C12H20O6P2/c1-3-17-19(13,14)9-11-5-7-12(8-6-11)10-20(15,16)18-4-2/h5-8H,3-4,9-10H2,1-2H3,(H,13,14)(H,15,16)
InChIKey SBTNRUFVWZNIAA-UHFFFAOYSA-N
Molecular Weight 322.234 g/mol
Nominal Mass 322 u
SMILES C(P(=O)(O)OCC)C1=CC=C(CP(=O)(O)OCC)C=C1