Dataset

2-(1,3-DIMETHYL-3-BUTENYL)CYCLOHEXANONE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP002251 contains the MS mass spectrum of 2-(1,3-DIMETHYL-3-BUTENYL)CYCLOHEXANONE with the InChIkey JNHRKKHWPNJMSO-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H20O/c1-9(2)8-10(3)11-6-4-5-7-12(11)13/h10-11H,1,4-8H2,2-3H3
SMILES CC(=C)CC(C)C(C1)C(=O)CCC1
InChI Key JNHRKKHWPNJMSO-UHFFFAOYSA-N
Molecular Formula C12H20O
Exact Mass 180.151 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-JP002251
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:56:00.307769
MetadataModified 2025-02-09T12:55:37.417879
MetadataPublished 2016-01-19
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
12567665 PubChem
J46.964E Nikkaji
The data in this table is sourced from UniChem at EBI.