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

*Links on SpectraBase are not permalinks.
Disodium Phenstatin 3-O-Phosphate
SpectraBase Compound ID DNNi4s7sR7K
InChI InChI=1S/C17H19O9P.2Na/c1-22-12-6-5-10(7-13(12)26-27(19,20)21)16(18)11-8-14(23-2)17(25-4)15(9-11)24-3;;/h5-9H,1-4H3,(H2,19,20,21);;/q;2*+1/p-2
InChIKey AXZGTZJKOYMURU-UHFFFAOYSA-L
Mol Weight 442.27 g/mol
Molecular Formula C17H17Na2O9P
Exact Mass 442.040558 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID HHtr6KKLGco
Name Disodium Phenstatin 3-O-Phosphate
Alternate Name(s) disodium;[2-methoxy-5-[oxo-(3,4,5-trimethoxyphenyl)methyl]phenyl] phosphate disodium;[2-methoxy-5-(3,4,5-trimethoxyphenyl)carbonyl-phenyl] phosphate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17Na2O9P
InChI InChI=1S/C17H19O9P.2Na/c1-22-12-6-5-10(7-13(12)26-27(19,20)21)16(18)11-8-14(23-2)17(25-4)15(9-11)24-3;;/h5-9H,1-4H3,(H2,19,20,21);;/q;2*+1/p-2
InChIKey AXZGTZJKOYMURU-UHFFFAOYSA-L
Molecular Weight 442.267 g/mol
SMILES c1(OP(O[Na])(O[Na])=O)cc(C(c2cc(OC)c(c(c2)OC)OC)=O)ccc1OC
SPLASH splash10-014i-0309000000-a23018c1bce79d9249c3
Source of Spectrum F2-41-1694-3
Wiley ID 1599578