Molecule

(2-acetyl-3-acetyloxyphenyl) acetate

Chemical Information

Molecular Image

InChI	InChI=1S/C12H12O5/c1-7(13)12-10(16-8(2)14)5-4-6-11(12)17-9(3)15/h4-6H,1-3H3
SMILES	CC(=O)c1c(cccc1OC(=O)C)OC(=O)C
InChI Key	BQSKGNHSFVZDGZ-UHFFFAOYSA-N
Exact Mass	236.221 g/mol

9 Related Dataset(s) ⌄

13C nuclear magnetic resonance spectroscopy (13C NMR)

1H nuclear magnetic resonance spectroscopy (1H NMR)

correlation spectroscopy (COSY)

distortionless enhancement with polarization transfer (DEPT)

distortionless enhancement with polarization transfer (DEPT)

heteronuclear multiple bond coherence (HMBC)

heteronuclear single quantum coherence (HSQC)

infrared absorption spectroscopy (IR)

mass spectrometry (MS)

Metadata Information

Field	Value
NFDI4Chem Molecule ID	nfdi4chem-mol7204
Source
Alternate Name

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
11386633	surechembl
14938347	pubchem
DTXSID70565752	comptox
The data in this table is sourced from UniChem at EBI.