Dataset

electron ionisation mass spectrometry (EI-MS)

Chemical Info

InChI	InChI=1S/C21H22F2N2O3S/c1-2-27-19(26)11-6-12-25-18-10-4-3-9-17(18)24-21(25)29-14-13-28-20-15(22)7-5-8-16(20)23/h3-5,7-10H,2,6,11-14H2,1H3
SMILES	CCOC(=O)CCCn1c(SCCOc2c(F)cccc2F)nc2c1cccc2
InChI Key	IMRMVIJJEVOPBK-UHFFFAOYSA-N
Molecular Formula	C21H22F2N2O3S
Exact Mass	420.473 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/IMRMVIJJEVOPBK-UHFFFAOYSA-N/Mass/EI.1
License URL
Source	https://www.chemotion-repository.net/inchikey/IMRMVIJJEVOPBK-UHFFFAOYSA-N/Mass/EI.1
Version
Author	Steven Susanto
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:18:56.044781
MetadataModified	2024-09-07T14:12:12.862658
MetadataPublished	2015-10-31

Field	Value
Measurement Technique	electron ionisation mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL4212318	ChEMBL
92042814	PubChem
The data in this table is sourced from UniChem at EBI.