Molecule

2-(2,2-dimethoxyethyl)benzo[de]isoquinoline-1,3-dione

Chemical Information

Molecular Image

InChI	InChI=1S/C16H15NO4/c1-20-13(21-2)9-17-15(18)11-7-3-5-10-6-4-8-12(14(10)11)16(17)19/h3-8,13H,9H2,1-2H3
SMILES	COC(CN1C(=O)c2cccc3c2c(C1=O)ccc3)OC
InChI Key	IPQNHLBUWYQHDL-UHFFFAOYSA-N
Exact Mass	285.295 g/mol

7 Related Dataset(s) ⌄

13C nuclear magnetic resonance spectroscopy (13C NMR)

1H nuclear magnetic resonance spectroscopy (1H NMR)

1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

1H--1H correlation spectroscopy (1H-1H COSY)

attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)

high-resolution electrospray ionisation mass spectrometry (HRESIMS)

Metadata Information

Field	Value
NFDI4Chem Molecule ID	nfdi4chem-mol6979
Source
Alternate Name

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
CHEMBL1986485	chembl
357360	pubchem
Molport-001-638-021	molport
The data in this table is sourced from UniChem at EBI.