Dataset
electron ionisation mass spectrometry (EI-MS)
Chemical Info
InChI | InChI=1S/C17H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-17(20)16(18)19/h2-15H2,1H3,(H,18,19) |
---|---|
SMILES | CCCCCCCCCCCCCCCOC(=O)C(=O)O |
InChI Key | OMJGMZAOUDJZRQ-UHFFFAOYSA-N |
Molecular Formula | C17H32O4 |
Exact Mass | 300.434 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/OMJGMZAOUDJZRQ-UHFFFAOYSA-N/Mass/EI |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/OMJGMZAOUDJZRQ-UHFFFAOYSA-N/Mass/EI |
Version | |
Author | Christina Belenki |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-06T23:50:51.036495 |
MetadataModified | 2024-09-07T13:12:24.921725 |
MetadataPublished | 2014-05-27 |
Field | Value |
---|---|
Measurement Technique | electron ionisation mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
73427470 | PubChem |
The data in this table is sourced from UniChem at EBI. |