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

*Links on SpectraBase are not permalinks.
2-(3-Amino-1,3-dioxy-propyl)-1,8,9-trimethoxy-10-methyl-anthra-cene 3-(acetic acid, methyl ester)
SpectraBase Compound ID B6yrCBMrACa
InChI InChI=1S/C24H25NO7/c1-12-14-7-6-8-17(29-2)21(14)24(32-5)22-15(12)9-13(10-19(28)30-3)20(23(22)31-4)16(26)11-18(25)27/h6-9H,10-11H2,1-5H3,(H2,25,27)
InChIKey IYLHRKVCCXEAJS-UHFFFAOYSA-N
Mol Weight 439.46 g/mol
Molecular Formula C24H25NO7
Exact Mass 439.163102 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 FIX56gTSfF3
Name 2-Anthraceneacetic acid, 3-(3-amino-1,3-dioxopropyl)-4,5,10-trimethoxy-9-methyl-, methyl ester
Alternate Name(s) 1,8,9-Trimethoxy-2-(carbamoylmethylcarbonyl)-3-(methoxycarbonylmethyl)-10-methyl-anthracene Methyl[3-(3-amino-3-oxopropanoyl)-4,5,10-trimethoxy-9-methyl-2-anthryl]acetate
CAS Registry Number 99249-10-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H25NO7
InChI InChI=1S/C24H25NO7/c1-12-14-7-6-8-17(29-2)21(14)24(32-5)22-15(12)9-13(10-19(28)30-3)20(23(22)31-4)16(26)11-18(25)27/h6-9H,10-11H2,1-5H3,(H2,25,27)
InChIKey IYLHRKVCCXEAJS-UHFFFAOYSA-N
Molecular Weight 439.464 g/mol
SMILES NC(CC(c1c(c2c(c(C)c3c(c2OC)c(OC)ccc3)cc1CC(=O)OC)OC)=O)=O
SPLASH splash10-0002-1009200000-07cfa1c592ad7de26298
Source of Spectrum C-110-6191-14
Wiley ID 1384428