Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C20H20Cl2O3/c1-13-14(5-4-6-19(13)23)8-9-16-17(21)11-15(12-18(16)22)25-20-7-2-3-10-24-20/h11-12,20H,2-7,10H2,1H3
SMILES	CC1=C(CCCC1=O)C#Cc1c(Cl)cc(cc1Cl)OC1CCCCO1
InChI Key	NUYMHLVXVLDFHG-UHFFFAOYSA-N
Molecular Formula	C20H20Cl2O3
Exact Mass	379.277 g/mol

Data and Resources

• mass spectrometry (MS)HTML
  Explore

  • More information
  • Go to resource

• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/NUYMHLVXVLDFHG-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/NUYMHLVXVLDFHG-UHFFFAOYSA-N/CHMO0000470
Version
Author	Lutz-F. Tietze
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:53:59.889372
MetadataModified	2024-09-07T22:26:15.338347
MetadataPublished	2022-06-29

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
163410448	PubChem
The data in this table is sourced from UniChem at EBI.