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2-(3-Amino-1,3-dioxy-propyl)-1,9-dimethoxy-10-methyl-anthracene 3-(acetic acid, methyl ester)
SpectraBase Compound ID KmIzwgIfyAY
InChI InChI=1S/C23H23NO6/c1-12-14-7-5-6-8-15(14)22(29-3)21-16(12)9-13(10-19(27)28-2)20(23(21)30-4)17(25)11-18(24)26/h5-9H,10-11H2,1-4H3,(H2,24,26)
InChIKey LDAHKBYSBQUGDG-UHFFFAOYSA-N
Mol Weight 409.44 g/mol
Molecular Formula C23H23NO6
Exact Mass 409.152537 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ERRzIDrusgk
Name 2-Anthraceneacetic acid, 3-(3-amino-1,3-dioxopropyl)-4,10-dimethoxy-9-methyl-, methyl ester
Alternate Name(s) 1,9-Dimethoxy-10-methyl-2-(carbamoylmethylcarbonyl)-3-(methoxycarbonylmethyl)-10-methyl-anthracene Methyl[3-(3-amino-3-oxopropanoyl)-4,10-dimethoxy-9-methyl-2-anthryl]acetate
CAS Registry Number 115706-68-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H23NO6
InChI InChI=1S/C23H23NO6/c1-12-14-7-5-6-8-15(14)22(29-3)21-16(12)9-13(10-19(27)28-2)20(23(21)30-4)17(25)11-18(24)26/h5-9H,10-11H2,1-4H3,(H2,24,26)
InChIKey LDAHKBYSBQUGDG-UHFFFAOYSA-N
Molecular Weight 409.438 g/mol
SMILES NC(CC(c1c(c2c(c(C)c3c(c2OC)cccc3)cc1CC(=O)OC)OC)=O)=O
SPLASH splash10-0a4i-0007900000-e52a36702bdef2f6a360
Source of Spectrum C-110-6191-9
Wiley ID 1373338