Dataset

1,5-DIMETHYL-1-VINYL-4-HEXENYL ACETATE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP001214 contains the MS mass spectrum of 1,5-DIMETHYL-1-VINYL-4-HEXENYL ACETATE with the InChIkey UWKAYLJWKGQEPM-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3
SMILES CC(C)=CCCC(C)(C=C)OC(C)=O
InChI Key UWKAYLJWKGQEPM-UHFFFAOYSA-N
Molecular Formula C12H20O2
Exact Mass 196.146 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-JP001214
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:56:28.088673
MetadataModified 2024-01-11T15:56:28.269100
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J294.877J Nikkaji
78333 ChEBI
SCHEMBL58028 SureChEMBL
J2.900I Nikkaji
60019093 NMRShiftDB
14892002 PubChem: Thomson Pharma
16509-46-9 ACToR
115-95-7 ACToR
151863-24-0 ACToR
51685-40-6 ACToR
PD127201 ProbesDrugs
8294 PubChem
CHEMBL502773 ChEMBL
119095 Brenda
HMDB0039522 Human Metabolome Database
5K47SSQ51G FDA SRS
HY-N6948 MedChemExpress
LINALYL ACETATE rxnorm
DTXSID7026946 EPA CompTox Dashboard
510640 eMolecules
The data in this table is sourced from UniChem at EBI.