Dataset

5-TERT-BUTYL-3,3-DIMETHYL-1-INDANONE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP005240 contains the MS mass spectrum of 5-TERT-BUTYL-3,3-DIMETHYL-1-INDANONE with the InChIkey UAYMLJQAJQASDB-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H20O/c1-14(2,3)10-6-7-11-12(8-10)15(4,5)9-13(11)16/h6-8H,9H2,1-5H3
SMILES CC(C)(C)c(c2)cc(c(c2)1)C(C)(C)CC(=O)1
InChI Key UAYMLJQAJQASDB-UHFFFAOYSA-N
Molecular Formula C15H20O
Exact Mass 216.151 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-JP005240
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T16:12:05.449763
MetadataModified 2025-02-09T12:01:53.418986
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J105.322A Nikkaji
SCHEMBL5403699 SureChEMBL
608582 PubChem
The data in this table is sourced from UniChem at EBI.