Dataset

1,1-DIISOBUTOXYETHANE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP009797 contains the MS mass spectrum of 1,1-DIISOBUTOXYETHANE with the InChIkey KIELJSVPUISYCI-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10H22O2/c1-8(2)6-11-10(5)12-7-9(3)4/h8-10H,6-7H2,1-5H3
SMILES CC(C)COC(C)OCC(C)C
InChI Key KIELJSVPUISYCI-UHFFFAOYSA-N
Molecular Formula C10H22O2
Exact Mass 174.162 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-JP009797
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:55:15.650587
MetadataModified 2024-01-11T15:55:15.817766
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
1K100428BB FDA SRS
79753 PubChem
5669-09-0 ACToR
ZINC000005441462 ZINC
DTXSID70205247 EPA CompTox Dashboard
J102.466C Nikkaji
MCULE-3715482068 Mcule
20209477 NMRShiftDB
SCHEMBL1572578 SureChEMBL
The data in this table is sourced from UniChem at EBI.