Dataset

gas chromatography-mass spectrometry (GCMS)

Chemical Info

InChI	InChI=1S/C15H14O4/c1-17-12-4-6-13(7-5-12)19-14-8-3-11(10-16)9-15(14)18-2/h3-10H,1-2H3
SMILES	COc1ccc(cc1)Oc1ccc(cc1OC)C=O
InChI Key	YUQXXVCREYJFBB-UHFFFAOYSA-N
Molecular Formula	C15H14O4
Exact Mass	258.269 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/YUQXXVCREYJFBB-UHFFFAOYSA-N/Mass/GCMS.1
License URL
Source	https://www.chemotion-repository.net/inchikey/YUQXXVCREYJFBB-UHFFFAOYSA-N/Mass/GCMS.1
Version
Author	Frederic Witkind Hirth
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T21:20:54.412720
MetadataModified	2024-09-07T13:47:05.082613
MetadataPublished	2014-08-21

Field	Value
Measurement Technique	gas chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
54528257	PubChem
The data in this table is sourced from UniChem at EBI.