Dataset

gas chromatography-mass spectrometry (GCMS)

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

Chemical Info

molecular Image
InChI InChI=1S/C15H14O/c1-9-4-5-12-10(2)6-15-14(7-13(9)12)11(3)8-16-15/h4-8H,1-3H3
SMILES Cc1cc2occ(c2cc2-c1ccc2C)C
InChI Key LMVGRKPOXLBIFQ-UHFFFAOYSA-N
Molecular Formula C15H14O
Exact Mass 210.271 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LMVGRKPOXLBIFQ-UHFFFAOYSA-N/CHMO0000497
License URL
Source https://www.chemotion-repository.net/inchikey/LMVGRKPOXLBIFQ-UHFFFAOYSA-N/CHMO0000497
Version
Author Dieter Sicker
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T00:57:32.085064
MetadataModified 2024-09-08T00:57:32.085069
MetadataPublished 2023-05-11
Field Value
Measurement Technique gas chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID20349625 EPA CompTox Dashboard
70001201 NMRShiftDB
16557922 PubChem: Thomson Pharma
489-79-2 ACToR
656393 PubChem
J11.762E Nikkaji
CHEMBL503851 ChEMBL
The data in this table is sourced from UniChem at EBI.