Dataset
heteronuclear single quantum coherence total correlation spectroscopy (HSQC-TOCSY)
Chemical Info
InChI | InChI=1S/C22H17NS/c1-3-8-19(9-4-1)23(20-10-5-2-6-11-20)21-15-13-18(14-16-21)22-12-7-17-24-22/h1-17H |
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SMILES | c1ccc(cc1)N(c1ccccc1)c1ccc(cc1)c1cccs1 |
InChI Key | XXGGHEHNQKJOBO-UHFFFAOYSA-N |
Molecular Formula | C22H17NS |
Exact Mass | 327.442 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/XXGGHEHNQKJOBO-UHFFFAOYSA-N/CHMO0001071 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/XXGGHEHNQKJOBO-UHFFFAOYSA-N/CHMO0001071 |
Version | |
Author | Steffen Otterbach |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T01:57:38.145981 |
MetadataModified | 2024-09-08T01:57:38.145986 |
MetadataPublished | 2023-11-13 |
Field | Value |
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Measurement Technique | heteronuclear single quantum coherence total correlation spectroscopy |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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59253725 | PubChem |
SCHEMBL867469 | SureChEMBL |
J2.965.770J | Nikkaji |
The data in this table is sourced from UniChem at EBI. |