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

*Links on SpectraBase are not permalinks.
O-acetylcinnabarine - methyl ester
SpectraBase Compound ID IHYiW8MUfrE
InChI InChI=1S/C17H14N2O6/c1-8(20)24-7-10-14(18)11(21)6-13-16(10)19-15-9(17(22)23-2)4-3-5-12(15)25-13/h3-6H,7,18H2,1-2H3
InChIKey QFQDXBJSOPQCKS-UHFFFAOYSA-N
Mol Weight 342.31 g/mol
Molecular Formula C17H14N2O6
Exact Mass 342.085186 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 3JHPqfFcH4e
Name O-acetylcinnabarine - methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14N2O6
InChI InChI=1S/C17H14N2O6/c1-8(20)24-7-10-14(18)11(21)6-13-16(10)19-15-9(17(22)23-2)4-3-5-12(15)25-13/h3-6H,7,18H2,1-2H3
InChIKey QFQDXBJSOPQCKS-UHFFFAOYSA-N
Molecular Weight 342.307 g/mol
SMILES NC1=C(C2=Nc3c(C(=O)OC)cccc3OC2=CC1=O)COC(=O)C
SPLASH splash10-00kf-1093000000-b0172f7b628e42682f9c
Source of Spectrum D8-324-6-5
Synonyms Methyl 9-(acetoxymethyl)-2-amino-3-oxo-benzo[6,7-a]phenoxazine-1-carboxylate
Wiley ID 1513940