Dataset

ISOPROPYL ISOBUTYRATE

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 Info

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
MetadataCreated 2024-01-11T15:56:38.006785
MetadataModified 2024-01-11T15:56:38.172079
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
12044 PubChem
20097638 NMRShiftDB
SCHEMBL295903 SureChEMBL
ISOPROPYL ISOBUTYRATE rxnorm
ZINC000002034380 ZINC
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.