Dataset

gas chromatography-mass spectrometry (GCMS)

dataset for gas chromatography-mass spectrometry (GCMS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C15H14O4/c1-17-12-5-3-4-6-13(12)19-14-8-7-11(10-16)9-15(14)18-2/h3-10H,1-2H3
SMILES COc1cc(C=O)ccc1Oc1ccccc1OC
InChI Key TUSNHZIKKUVRTK-UHFFFAOYSA-N
Molecular Formula C15H14O4
Exact Mass 258.269 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/TUSNHZIKKUVRTK-UHFFFAOYSA-N/Mass/GCMS.1
License URL
Source https://www.chemotion-repository.net/inchikey/TUSNHZIKKUVRTK-UHFFFAOYSA-N/Mass/GCMS.1
Version
Author Frederic Witkind Hirth
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T21:21:14.551167
MetadataModified 2024-09-07T13:47:19.018552
MetadataPublished 2014-08-21
Field Value
Measurement Technique gas chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
57518763 PubChem
The data in this table is sourced from UniChem at EBI.