Dataset
fast-atom bombardment mass spectrometry (FABMS)
Chemical Information
| InChI | InChI=1S/C12H15BO2S2/c1-11(2)12(3,4)15-13(14-11)10-7-9-8(17-10)5-6-16-9/h5-7H,1-4H3 |
|---|---|
| SMILES | CC1(C)OB(OC1(C)C)c1sc2c(c1)scc2 |
| InChI Key | ZOGRODFFPRPMDQ-UHFFFAOYSA-N |
| Molecular Formula | C12H15BO2S2 |
| Exact Mass | 266.187 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/ZOGRODFFPRPMDQ-UHFFFAOYSA-N/CHMO0000563 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/ZOGRODFFPRPMDQ-UHFFFAOYSA-N/CHMO0000563 |
| Version | |
| Author | Henrik Tappert |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataPublished | 2025-06-05 |
| Related Molecule |
|
| Field | Value |
|---|---|
| Measurement Technique | fast-atom bombardment mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 58012946 | PubChem |
| ZINC000200966447 | ZINC |
| SCHEMBL3842639 | SureChEMBL |
| J3.026.209C | Nikkaji |
| The data in this table is sourced from UniChem at EBI. | |