![1H-pyrido[2,1-b]benzothiazole-4-carbonitrile, 5a,6,7,8,9,9a-hexahydro-9a-hydroxy-3-methyl-1-oxo-](/api/spectrum/6yaIXVncMBt/structure.png?h=300&w=458 "1H-pyrido[2,1-b]benzothiazole-4-carbonitrile, 5a,6,7,8,9,9a-hexahydro-9a-hydroxy-3-methyl-1-oxo-")
| SpectraBase Compound ID | 6jxPsreJFio |
|---|---|
| InChI | InChI=1S/C13H14N2O2S/c1-8-6-11(16)15-12(9(8)7-14)18-10-4-2-3-5-13(10,15)17/h6,10,17H,2-5H2,1H3 |
| InChIKey | JGPJNPWONMQLKK-UHFFFAOYSA-N |
| Mol Weight | 262.33 g/mol |
| Molecular Formula | C13H14N2O2S |
| Exact Mass | 262.077599 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 | 6yaIXVncMBt |
|---|---|
| Name | 1H-Pyrido[2,1-b]benzothiazole-4-carbonitrile, 5a,6,7,8,9,9a-hexahydro-9a-hydroxy-3-methyl-1-oxo- |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H14N2O2S |
| InChI | InChI=1S/C13H14N2O2S/c1-8-6-11(16)15-12(9(8)7-14)18-10-4-2-3-5-13(10,15)17/h6,10,17H,2-5H2,1H3 |
| InChIKey | JGPJNPWONMQLKK-UHFFFAOYSA-N |
| Molecular Weight | 262.327 g/mol |
| SMILES | OC12N3C(=C(C#N)C(=CC3=O)C)SC1CCCC2 |
| SPLASH | splash10-000g-9330000000-f736dd2f54086541d646 |
| Synonyms | 9a-Hydroxy-3-methyl-1-oxo-5a,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-b][1,3]benzothiazole-4-carbonitrile 9a-hydroxy-3-methyl-1-oxo-6,7,8,9-tetrahydro-5aH-benzo[1,2][1,3]thiazolo[3,4-a]pyridine-4-carbonitrile 9a-hydroxy-3-methyl-1-oxo-6,7,8,9-tetrahydro-5aH-benzo[1,2]thiazolo[3,4-a]pyridine-4-carbonitrile 3-Methyl-9a-oxidanyl-1-oxidanylidene-6,7,8,9-tetrahydro-5aH-benzo[1,2][1,3]thiazolo[3,4-a]pyridine-4-carbonitrile |
| Wiley ID | 1457355 |