Dataset

PROPANAL DIISOPROPYL ACETAL

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP009284 contains the MS mass spectrum of PROPANAL DIISOPROPYL ACETAL with the InChIkey OMKOEKNZLXINHM-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C9H20O2/c1-6-9(10-7(2)3)11-8(4)5/h7-9H,6H2,1-5H3
SMILES CCC(OC(C)C)OC(C)C
InChI Key OMKOEKNZLXINHM-UHFFFAOYSA-N
Molecular Formula C9H20O2
Exact Mass 160.146 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-JP009284
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:57:35.589759
MetadataModified 2024-01-11T15:57:35.763426
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL6382034 SureChEMBL
J354.947J Nikkaji
ZINC000001646253 ZINC
231598 PubChem
16919067 PubChem: Thomson Pharma
4744-09-6 ACToR
The data in this table is sourced from UniChem at EBI.