Dataset

ISOPROPYL ORTHO TOLUATE (1,1,1,2,3,3,3-D7)

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP000064 contains the MS mass spectrum of ISOPROPYL ORTHO TOLUATE (1,1,1,2,3,3,3-D7) with the InChIkey GKOTWEXRHKVLLK-UNAVHCQLSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H14O2/c1-8(2)13-11(12)10-7-5-4-6-9(10)3/h4-8H,1-3H3/i1D3,2D3,8D
SMILES [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])OC(=O)c(c1)c(C)ccc1
InChI Key GKOTWEXRHKVLLK-UNAVHCQLSA-N
Molecular Formula C11H14O2
Exact Mass 178.099 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-JP000064
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:55:28.563672
MetadataModified 2024-01-11T15:55:28.727177
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J47.841E Nikkaji
101624452 PubChem
The data in this table is sourced from UniChem at EBI.