Dataset
PHENYL BUTYRATE
Chemical Info
InChI | InChI=1S/C10H12O2/c1-2-6-10(11)12-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3 |
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SMILES | CCCC(=O)Oc(c1)cccc1 |
InChI Key | IGVPBCZDHMIOJH-UHFFFAOYSA-N |
Molecular Formula | C10H12O2 |
Exact Mass | 164.084 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-JP008562 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T15:56:19.663015 |
MetadataModified | 2024-01-11T15:56:19.825690 |
MetadataPublished | 2016-01-19 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
20354 | PubChem |
MCULE-4521121597 | Mcule |
15120352 | PubChem: Thomson Pharma |
4346-18-3 | ACToR |
SCHEMBL62921 | SureChEMBL |
180407 | ChEBI |
R9K49A127H | FDA SRS |
20805 | Brenda |
5279 | Brenda |
HMDB0041612 | Human Metabolome Database |
DTXSID30195857 | EPA CompTox Dashboard |
PHENYL BUTYRATE | rxnorm |
ZINC000002037928 | ZINC |
CB8709491 | ChemicalBook |
J121.748H | Nikkaji |
The data in this table is sourced from UniChem at EBI. |