Dataset

electron ionisation mass spectrometry (EI-MS)

dataset for electron ionisation mass spectrometry (EI-MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C20H19FO2/c1-12(2)17-9-4-13(3)19-18(17)11-15(20(22)23-19)10-14-5-7-16(21)8-6-14/h4-9,11-12H,10H2,1-3H3
SMILES Fc1ccc(cc1)Cc1cc2c(ccc(c2oc1=O)C)C(C)C
InChI Key JXORRYXWZBFIRF-UHFFFAOYSA-N
Molecular Formula C20H19FO2
Exact Mass 310.362 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JXORRYXWZBFIRF-UHFFFAOYSA-N/CHMO0000480
License URL
Source https://www.chemotion-repository.net/inchikey/JXORRYXWZBFIRF-UHFFFAOYSA-N/CHMO0000480
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T05:26:23.417881
MetadataModified 2024-09-07T20:55:29.441076
MetadataPublished 2022-01-07
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
162393337 PubChem
The data in this table is sourced from UniChem at EBI.