Dataset

2-BROMO-1,3,5-TRIMETHYLBENZENE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP004702 contains the MS mass spectrum of 2-BROMO-1,3,5-TRIMETHYLBENZENE with the InChIkey RRTLQRYOJOSPEA-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C9H11Br/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,1-3H3
SMILES Cc(c1)cc(C)c(Br)c(C)1
InChI Key RRTLQRYOJOSPEA-UHFFFAOYSA-N
Molecular Formula C9H11Br
Exact Mass 198.004 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-JP004702
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:57:20.187711
MetadataModified 2024-01-11T15:57:20.347165
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
485422 eMolecules
576-83-0 ACToR
16131055 PubChem: Thomson Pharma
SCHEMBL156826 SureChEMBL
68473 PubChem
20145089 NMRShiftDB
J47.000G Nikkaji
DTXSID4060363 EPA CompTox Dashboard
MCULE-4628446618 Mcule
ZINC000001081252 ZINC
CB6711661 ChemicalBook
The data in this table is sourced from UniChem at EBI.