Dataset

2-TERT-BUTYLCYCLOHEXANOL

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP003596 contains the MS mass spectrum of 2-TERT-BUTYLCYCLOHEXANOL with the InChIkey DLTWBMHADAJAAZ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10H20O/c1-10(2,3)8-6-4-5-7-9(8)11/h8-9,11H,4-7H2,1-3H3
SMILES OC(C1)C(CCC1)C(C)(C)C
InChI Key DLTWBMHADAJAAZ-UHFFFAOYSA-N
Molecular Formula C10H20O
Exact Mass 156.151 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-JP003596
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:56:01.849055
MetadataModified 2024-01-11T15:56:02.023667
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL3184925 ChEMBL
J47.451G Nikkaji
7214-18-8 ACToR
13491-79-7 ACToR
5448-22-6 ACToR
486638 eMolecules
16201-62-0 ACToR
16472106 PubChem: Thomson Pharma
SCHEMBL156962 SureChEMBL
DTXSID4044799 EPA CompTox Dashboard
MCULE-9204517257 Mcule
CB5328549 ChemicalBook
26068 PubChem
The data in this table is sourced from UniChem at EBI.