Dataset
10a_JCAMP.
Chemical Info
| InChI | InChI=1S/C13H22O3/c1-2-3-4-5-6-7-8-12-11(14)9-10-13(15)16-12/h9-10,12-13,15H,2-8H2,1H3 |
|---|---|
| SMILES | [CH:1]1=[CH:2][CH:3]([OH:8])[O:4][CH:5]([CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH3:16])[C:6]1=[O:7] |
| InChI Key | IWXIQYYOEMWJQO-UHFFFAOYSA-N |
| Molecular Formula | C13H22O3 |
| Exact Mass | 226.310 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.57992/nmrxiv.p57.s350.d1884 |
| License URL | https://creativecommons.org/licenses/by/4.0/legalcode |
| Source | https://nmrxiv.org/D1884 |
| Version | |
| Author | Toni Ditfe, Dr. Eileen Bette, Dr. Haider N. Sultani, Dr. Alexander Otto, Prof. Dr. Ludger A. Wessjohann, Dr. Norbert Arnold, Prof. Dr. Bernhard Westermann |
| Maintainer | |
| Language | english |
| MetadataCreated | 2024-05-15T08:46:09.668838 |
| MetadataModified | 2025-02-03T15:59:37.806501 |
| MetadataPublished | 2024-01-19 09:20:10 |
| Related Molecule |