Dataset
MS-200.hmbc
Chemical Info
InChI | InChI=1S/C25H24N2O2/c28-25(29-23-14-6-10-19-11-7-15-26-24(19)23)21-17-27(16-18-8-2-1-3-9-18)22-13-5-4-12-20(21)22/h4-7,10-15,17-18H,1-3,8-9,16H2 |
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SMILES | O=C(OC1=CC=CC2=C1N=CC=C2)C1=CN(CC2CCCCC2)C2=C1C=CC=C2 |
InChI Key | RHYGTJXOHOGQGI-UHFFFAOYSA-N |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.57992/nmrxiv.p84.s708.d3488 |
License URL | https://creativecommons.org/licenses/by-nc-nd/4.0/legalcode |
Source | https://nmrxiv.org/D3488 |
Version | |
Author | Eva‐Maria Hubner, Martin G. Schmid, Verina Manojlovic, Daniela Gattringer, Eva‐Maria Pferschy‐Wenzig, Olaf Kunert |
Maintainer | |
Language | english |
MetadataCreated | 2025-02-03T17:06:04.706935 |
MetadataModified | 2025-02-03T17:06:04.706941 |
MetadataPublished | 2025-01-09 07:49:00 |
Related Molecule |