Dataset

elemental analysis (EA)

Chemical Info

InChI	InChI=1S/C18H18O4/c1-21-17(19)15-9-5-13(6-10-15)3-4-14-7-11-16(12-8-14)18(20)22-2/h5-12H,3-4H2,1-2H3
SMILES	COC(=O)c1ccc(cc1)CCc1ccc(cc1)C(=O)OC
InChI Key	VCKIQSATAZPKJV-UHFFFAOYSA-N
Molecular Formula	C18H18O4
Exact Mass	298.333 g/mol

Data and Resources

• elemental analysis (EA)HTML
  Explore

  • More information
  • Go to resource

• elemental-analysis

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/VCKIQSATAZPKJV-UHFFFAOYSA-N/CHMO0001075
License URL
Source	https://www.chemotion-repository.net/inchikey/VCKIQSATAZPKJV-UHFFFAOYSA-N/CHMO0001075
Version
Author	Sylvain Grosjean
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:20:59.875554
MetadataModified	2024-09-07T18:12:46.664376
MetadataPublished	2020-06-15

Field	Value
Measurement Technique	elemental analysis
Measurement Variables

Data-Source Molecule ID	Data-Source
ZINC000000391494	ZINC
J802.815J	Nikkaji
MCULE-3835974056	Mcule
DUWPIW	CCDC
DTXSID00343621	EPA CompTox Dashboard
590963	PubChem
SCHEMBL70185	SureChEMBL
15719068	PubChem: Thomson Pharma
10912474	eMolecules
The data in this table is sourced from UniChem at EBI.