Dataset
heteronuclear single quantum coherence total correlation spectroscopy (HSQC-TOCSY)
Chemical Info
InChI | InChI=1S/C24H19NO2S/c1-26-18-9-11-22-20(14-18)21-15-19(27-2)10-12-23(21)25(22)17-7-5-16(6-8-17)24-4-3-13-28-24/h3-15H,1-2H3 |
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SMILES | COc1ccc2c(c1)c1cc(OC)ccc1n2c1ccc(cc1)c1cccs1 |
InChI Key | GIIRFSVKDFTLPT-UHFFFAOYSA-N |
Molecular Formula | C24H19NO2S |
Exact Mass | 385.478 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/GIIRFSVKDFTLPT-UHFFFAOYSA-N/CHMO0001071 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/GIIRFSVKDFTLPT-UHFFFAOYSA-N/CHMO0001071 |
Version | |
Author | Steffen Otterbach |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T01:58:17.502430 |
MetadataModified | 2024-09-08T01:58:17.502434 |
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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169408868 | PubChem |
The data in this table is sourced from UniChem at EBI. |