Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C24H24O4/c1-27-23(25)13-11-21-15-17-3-7-19(21)9-5-18-4-8-20(10-6-17)22(16-18)12-14-24(26)28-2/h3-4,7-8,11-16H,5-6,9-10H2,1-2H3/b13-11+,14-12+
SMILES COC(=O)/C=C/c1cc2CCc3ccc(CCc1cc2)cc3/C=C/C(=O)OC
InChI Key HILHJBVOELJINN-PHEQNACWSA-N
Molecular Formula C24H24O4
Exact Mass 376.445 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HILHJBVOELJINN-PHEQNACWSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/HILHJBVOELJINN-PHEQNACWSA-N/CHMO0000470
Version
Author Yichuan Wang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T00:50:54.981350
MetadataModified 2024-09-08T00:50:54.981356
MetadataPublished 2023-04-07
Field Value
Measurement Technique mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
15760404 PubChem
ZOBVOB CCDC
J679.929I Nikkaji
The data in this table is sourced from UniChem at EBI.