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

*Links on SpectraBase are not permalinks.
1-Naphthacenecarboxylic acid, 6,11-dihydro-5,12-dihydroxy-2-methyl-6,11-dioxo-, methyl ester
SpectraBase Compound ID GkZhkuoHewx
InChI InChI=1S/C21H14O6/c1-9-7-8-12-14(13(9)21(26)27-2)20(25)16-15(19(12)24)17(22)10-5-3-4-6-11(10)18(16)23/h3-8,24-25H,1-2H3
InChIKey MGACMPRGDNHMEU-UHFFFAOYSA-N
Mol Weight 362.34 g/mol
Molecular Formula C21H14O6
Exact Mass 362.079038 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 5nUNH0TH0qp
Name 1-Naphthacenecarboxylic acid, 6,11-dihydro-5,12-dihydroxy-2-methyl-6,11-dioxo-, methyl ester
Alternate Name(s) 5,12-Dihydroxy-1-methoxycarbonyl-2-methyl-6,11-naphthacenquinone Methyl 5,12-dihydroxy-2-methyl-6,11-dioxo-6,11-dihydro-1-naphthacenecarboxylate
CAS Registry Number 69016-85-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H14O6
InChI InChI=1S/C21H14O6/c1-9-7-8-12-14(13(9)21(26)27-2)20(25)16-15(19(12)24)17(22)10-5-3-4-6-11(10)18(16)23/h3-8,24-25H,1-2H3
InChIKey MGACMPRGDNHMEU-UHFFFAOYSA-N
Molecular Weight 362.337 g/mol
SMILES Oc1c2c(c(c3c1c(c(cc3)C)C(=O)OC)O)C(c1c(C2=O)cccc1)=O
SPLASH splash10-001i-0109000000-205688104e8f2cf91575
Source of Spectrum K-111-3836-0
Wiley ID 1349658