Dataset
1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
Chemical Info
InChI | InChI=1S/C24H21NO2S/c1-26-22-13-9-20(10-14-22)25(21-11-15-23(27-2)16-12-21)19-7-5-18(6-8-19)24-4-3-17-28-24/h3-17H,1-2H3 |
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SMILES | COc1ccc(cc1)N(c1ccc(cc1)OC)c1ccc(cc1)c1cccs1 |
InChI Key | XYJCIDLTSVUDLE-UHFFFAOYSA-N |
Molecular Formula | C24H21NO2S |
Exact Mass | 387.494 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/XYJCIDLTSVUDLE-UHFFFAOYSA-N/CHMO0001146 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/XYJCIDLTSVUDLE-UHFFFAOYSA-N/CHMO0001146 |
Version | |
Author | Steffen Otterbach |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T01:54:41.009346 |
MetadataModified | 2024-09-08T01:54:41.009351 |
MetadataPublished | 2023-11-13 |
Field | Value |
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Measurement Technique | 1H–13C heteronuclear single quantum coherence |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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141290147 | PubChem |
The data in this table is sourced from UniChem at EBI. |