Dataset

ISOPROPYL ISOBUTYRATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP005911 contains the MS mass spectrum of ISOPROPYL ISOBUTYRATE with the InChIkey WVRPFQGZHKZCEB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H14O2/c1-5(2)7(8)9-6(3)4/h5-6H,1-4H3
SMILES CC(C)OC(=O)C(C)C
InChI Key WVRPFQGZHKZCEB-UHFFFAOYSA-N
Molecular Formula C7H14O2
Exact Mass 130.099 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-JP005911
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • propan-2-yl 2-methylpropanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    12044 PubChem
    20097638 NMRShiftDB
    SCHEMBL295903 SureChEMBL
    ZINC000002034380 ZINC
    ISOPROPYL ISOBUTYRATE rxnorm
    J45.635G Nikkaji
    6213678 eMolecules
    IB2671N3UT FDA SRS
    617-50-5 ACToR
    15188751 PubChem: Thomson Pharma
    179991 ChEBI
    CB5289404 ChemicalBook
    HMDB0038227 Human Metabolome Database
    The data in this table is sourced from UniChem at EBI.