Dataset

PHENYLETHYL ISOPENTYL ETHER

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP006587 contains the MS mass spectrum of PHENYLETHYL ISOPENTYL ETHER with the InChIkey BHQBQWOZHYUVTL-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C13H20O/c1-12(2)8-10-14-11-9-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3
SMILES CC(C)CCOCCc(c1)cccc1
InChI Key BHQBQWOZHYUVTL-UHFFFAOYSA-N
Molecular Formula C13H20O
Exact Mass 192.151 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-JP006587
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T16:12:06.691382
MetadataModified 2025-02-09T12:41:05.286981
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
20208458 NMRShiftDB
91978 PubChem
15171560 PubChem: Thomson Pharma
SCHEMBL112613 SureChEMBL
54173-86-3 ACToR
X768037VTG FDA SRS
56011-02-0 ACToR
CB3723915 ChemicalBook
HMDB0041615 Human Metabolome Database
J182.742A Nikkaji
DTXSID3052220 EPA CompTox Dashboard
ZINC000002534689 ZINC
The data in this table is sourced from UniChem at EBI.