Dataset
![molecular Image]()
1H nuclear magnetic resonance spectroscopy (1H NMR)
Chemical Info
| InChI | InChI=1S/C8H10S2/c9-5-7-1-2-8(6-10)4-3-7/h1-4,9-10H,5-6H2 |
|---|---|
| SMILES | SCc1ccc(cc1)CS |
| InChI Key | IYPNRTQAOXLCQW-UHFFFAOYSA-N |
| Molecular Formula | C8H10S2 |
| Exact Mass | 170.295 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/IYPNRTQAOXLCQW-UHFFFAOYSA-N/NMR/1H/CDCl3/250 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/IYPNRTQAOXLCQW-UHFFFAOYSA-N/NMR/1H/CDCl3/250 |
| Version | |
| Author | Joshua Kramer |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2024-09-07T00:04:03.794363 |
| MetadataModified | 2024-09-07T13:32:05.400485 |
| MetadataPublished | 2014-05-27 |
| Field | Value |
|---|---|
| Measurement Technique | 1H nuclear magnetic resonance spectroscopy |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 66043 | PubChem |
| SCHEMBL127369 | SureChEMBL |
| CB6348355 | ChemicalBook |
| K48UBZ9IMD | FDA SRS |
| DTXSID1059313 | EPA CompTox Dashboard |
| ZINC000000388282 | ZINC |
| MCULE-9201172948 | Mcule |
| J182.192J | Nikkaji |
| 105-09-9 | ACToR |
| 482264 | eMolecules |
| 16214598 | PubChem: Thomson Pharma |
| The data in this table is sourced from UniChem at EBI. | |