SpectraBase Spectrum ID |
IGFlVdUZVrA |
Name |
Permethyl monomethylphthalate glucuronide |
Alternate Name(s) |
permethylated methylphthalate glucuronide
2-(methoxycarbonyl)benzoyl methyl 2,3,4-tri-O-methylhexopyranosiduronate
[2'',3'',4'',6''-tetramethyl-glucopyranos-1''-O-acyl]3-phenoxybenzoate |
Comments |
Less than 3 mono-isotopic peaks |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C19H24O10 |
InChI |
InChI=1S/C19H24O10/c1-23-12-13(24-2)15(25-3)19(27-5)28-14(12)18(22)29-17(21)11-9-7-6-8-10(11)16(20)26-4/h6-9,12-15,19H,1-5H3 |
InChIKey |
BXYGUOACEWGUQG-UHFFFAOYSA-N |
Molecular Weight |
412.391 g/mol |
SMILES |
C1(OC(OC)C(C(C1OC)OC)OC)C(OC(c1c(C(=O)OC)cccc1)=O)=O |
SPLASH |
splash10-03di-0900000000-c1232aa640e75cb8fc4c |
Source of Spectrum |
KO-17-99-20 |
Wiley ID |
1374308 |