Dataset

ORTHO FLUORO ISOBUTYLBENZOATE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP000188 contains the MS mass spectrum of ORTHO FLUORO ISOBUTYLBENZOATE with the InChIkey KQJFKNAUYPTSIY-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H13FO2/c1-8(2)7-14-11(13)9-5-3-4-6-10(9)12/h3-6,8H,7H2,1-2H3
SMILES CC(C)COC(=O)c(c1)c(F)ccc1
InChI Key KQJFKNAUYPTSIY-UHFFFAOYSA-N
Molecular Formula C11H13FO2
Exact Mass 196.090 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-JP000188
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T16:25:53.771424
MetadataModified 2025-02-09T12:49:36.657153
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
579716 PubChem
J47.855E Nikkaji
The data in this table is sourced from UniChem at EBI.