Dataset

1-ACETYL-2-HYDROXY-4-BENZYLOXYBENZENE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP005135 contains the MS mass spectrum of 1-ACETYL-2-HYDROXY-4-BENZYLOXYBENZENE with the InChIkey AGQNLHOTLJFJCG-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H14O3/c1-11(16)14-8-7-13(9-15(14)17)18-10-12-5-3-2-4-6-12/h2-9,17H,10H2,1H3
SMILES CC(=O)c(c1)c(O)cc(OCc(c2)cccc2)c1
InChI Key AGQNLHOTLJFJCG-UHFFFAOYSA-N
Molecular Formula C15H14O3
Exact Mass 242.094 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP005135
Version
Author
Maintainer
Language
MetadataCreated 2024-01-15T11:59:53.500247
MetadataModified 2024-01-15T11:59:53.718456
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CB3948242 ChemicalBook
1121578 eMolecules
16204508 PubChem: Thomson Pharma
29682-12-0 ACToR
DTXSID40309246 EPA CompTox Dashboard
ZINC000001748826 ZINC
OBUMIJ CCDC
J183.666H Nikkaji
SCHEMBL567416 SureChEMBL
MCULE-5330874421 Mcule
309257 PubChem
The data in this table is sourced from UniChem at EBI.