Dataset

ISOPROPYLCYCLOHEXANE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP012186 contains the MS mass spectrum of ISOPROPYLCYCLOHEXANE with the InChIkey GWESVXSMPKAFAS-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C9H18/c1-8(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
SMILES CC(C)C(C1)CCCC1
InChI Key GWESVXSMPKAFAS-UHFFFAOYSA-N
Molecular Formula C9H18
Exact Mass 126.141 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-JP012186
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:57:53.058851
MetadataModified 2024-01-11T15:57:53.249374
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL5282 SureChEMBL
20096844 NMRShiftDB
12763 PubChem
MCULE-6669359076 Mcule
J43.397G Nikkaji
PUYWEL CCDC
DTXSID2061012 EPA CompTox Dashboard
LMFA11000629 LipidMaps
ZINC000001699427 ZINC
CB1309234 ChemicalBook
HMDB0038191 Human Metabolome Database
539586 eMolecules
15170636 PubChem: Thomson Pharma
696-29-7 ACToR
187116 ChEBI
The data in this table is sourced from UniChem at EBI.