Dataset

3-PHENYLDODECANE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP012314 contains the MS mass spectrum of 3-PHENYLDODECANE with the InChIkey PGVOXXHNGYYHHB-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H30/c1-3-5-6-7-8-9-11-14-17(4-2)18-15-12-10-13-16-18/h10,12-13,15-17H,3-9,11,14H2,1-2H3
SMILES CCCCCCCCCC(CC)c(c1)cccc1
InChI Key PGVOXXHNGYYHHB-UHFFFAOYSA-N
Molecular Formula C18H30
Exact Mass 246.235 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-JP012314
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:56:09.121206
MetadataModified 2024-01-11T15:56:09.284756
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J144.899D Nikkaji
SCHEMBL3097530 SureChEMBL
DTXSID40862922 EPA CompTox Dashboard
60024299 NMRShiftDB
2400-00-2 ACToR
16301798 PubChem: Thomson Pharma
16979 PubChem
The data in this table is sourced from UniChem at EBI.