Dataset
1,5-DIMETHYL-1-VINYL-4-HEXENYL ACETATE
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 |
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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 |
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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. |