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

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

1,5-DIMETHYL-1-VINYL-4-HEXENYL ACETATEHTML
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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.