Dataset
ISOVALERIC ACID CINNAMYL ESTER
Chemical Info
InChI | InChI=1S/C14H18O2/c1-12(2)11-14(15)16-10-6-9-13-7-4-3-5-8-13/h3-9,12H,10-11H2,1-2H3/b9-6+ |
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SMILES | CC(C)CC(=O)OCC=Cc(c1)cccc1 |
InChI Key | FOCMOGKCPPTERB-RMKNXTFCSA-N |
Molecular Formula | C14H18O2 |
Exact Mass | 218.131 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-JP005257 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T15:56:05.665802 |
MetadataModified | 2024-01-11T15:56:05.831786 |
MetadataPublished | 2016-01-19 |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
163618396 | PubChem: Thomson Pharma |
5JHK9Y2XRM | FDA SRS |
60059066 | NMRShiftDB |
595613 | eMolecules |
140-27-2 | ACToR |
SCHEMBL382511 | SureChEMBL |
ZINC000001677811 | ZINC |
5355855 | PubChem |
CB4720865 | ChemicalBook |
CHEMBL4162391 | ChEMBL |
J105.390F | Nikkaji |
J503.383G | Nikkaji |
The data in this table is sourced from UniChem at EBI. |