![2-Methyl[1,2,4]Triazolo[3,2-b][2,4]benzothiazepin-10(5H)-one](/api/spectrum/t8eEoAIPeK/structure.png?h=300&w=458 "2-Methyl[1,2,4]Triazolo[3,2-b][2,4]benzothiazepin-10(5H)-one")
| SpectraBase Compound ID | 8IgQzzN1pF5 |
|---|---|
| InChI | InChI=1S/C11H9N3OS/c1-7-12-11-14(13-7)10(15)9-5-3-2-4-8(9)6-16-11/h2-5H,6H2,1H3 |
| InChIKey | PWTOCCCGYXPXID-UHFFFAOYSA-N |
| Mol Weight | 231.27 g/mol |
| Molecular Formula | C11H9N3OS |
| Exact Mass | 231.046633 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | t8eEoAIPeK |
|---|---|
| Name | 2-Methyl[1,2,4]Triazolo[3,2-b][2,4]benzothiazepin-10(5H)-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H9N3OS |
| InChI | InChI=1S/C11H9N3OS/c1-7-12-11-14(13-7)10(15)9-5-3-2-4-8(9)6-16-11/h2-5H,6H2,1H3 |
| InChIKey | PWTOCCCGYXPXID-UHFFFAOYSA-N |
| Molecular Weight | 231.273 g/mol |
| SMILES | c12[n](nc(n2)C)C(c2c(CS1)cccc2)=O |
| SPLASH | splash10-0udl-6290000000-8151ad42b20f1ea93292 |
| Source of Spectrum | CV-0-179-2 |
| Wiley ID | 849261 |