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

*Links on SpectraBase are not permalinks.
PHOMOSINE-D
SpectraBase Compound ID 25XHjTP3XSF
InChI InChI=1S/C18H20O7/c1-8-5-12(20)11(7-19)13(6-8)25-17-9(2)14(18(23)24-4)15(21)10(3)16(17)22/h5-6,19-22H,7H2,1-4H3
InChIKey YXFYVKDXNWPWNE-UHFFFAOYSA-N
Mol Weight 348.35 g/mol
Molecular Formula C18H20O7
Exact Mass 348.120903 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 FNdBgR7xsV0
Name Methyl 2,4-dihydroxy-5-[3-hydroxy-2-(hydroxymethyl)-5-methylphenoxy]-3,6-dimethylbenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O7
InChI InChI=1S/C18H20O7/c1-8-5-12(20)11(7-19)13(6-8)25-17-9(2)14(18(23)24-4)15(21)10(3)16(17)22/h5-6,19-22H,7H2,1-4H3
InChIKey YXFYVKDXNWPWNE-UHFFFAOYSA-N
Molecular Weight 348.351 g/mol
SMILES Oc1cc(cc(c1CO)Oc1c(c(c(c(C)c1O)O)C(=O)OC)C)C
SPLASH splash10-000t-1249000000-bcf5fcb12b3f957b9ea2
Source of Spectrum H-2005-5104-4
Synonyms 2,4-Dihydroxy-5-[3-hydroxy-2-(hydroxymethyl)-5-methylphenoxy]-3,6-dimethylbenzoic acid methyl ester Methyl 2,4-dihydroxy-5-[3-hydroxy-2-(hydroxymethyl)-5-methyl-phenoxy]-3,6-dimethyl-benzoate Methyl 3-[2-(hydroxymethyl)-5-methyl-3-oxidanyl-phenoxy]-2,5-dimethyl-4,6-bis(oxidanyl)benzoate
Wiley ID 1588115