Dataset
9a_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 |
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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 |
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DOI | 10.57992/nmrxiv.p57.s348.d1880 |
License URL | https://creativecommons.org/licenses/by/4.0/legalcode |
Source | https://nmrxiv.org/D1880 |
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 | 2024-05-15T09:28:28.376277 |
MetadataModified | 2024-09-23T09:38:07.878730 |
MetadataPublished | 2024-01-19 09:20:10 |
Field | Value |
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Measurement Technique | |
Measurement Variables |
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