Dataset

1,1-DIMETHYLINDAN-4-CARBOXYLIC ACID ETHYLESTER

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP005259 contains the MS mass spectrum of 1,1-DIMETHYLINDAN-4-CARBOXYLIC ACID ETHYLESTER with the InChIkey JAWKNTBIAIQVDD-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C14H18O2/c1-4-16-13(15)11-6-5-7-12-10(11)8-9-14(12,2)3/h5-7H,4,8-9H2,1-3H3
SMILES CCOC(=O)c(c2)c(C1)c(cc2)C(C)(C)C1
InChI Key JAWKNTBIAIQVDD-UHFFFAOYSA-N
Molecular Formula C14H18O2
Exact Mass 218.131 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-JP005259
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:56:15.666155
MetadataModified 2024-01-11T15:56:15.820946
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
41480 PubChem
55591-12-3 ACToR
DTXSID50204137 EPA CompTox Dashboard
J130.724J Nikkaji
The data in this table is sourced from UniChem at EBI.