| SpectraBase Spectrum ID |
9C0PsN1ADfg |
| Name |
5A-Amino-2-methyl-5A,6,7,8,9,9A-hexahydro-4H-pyrimido[2,1-B]benzothiazol-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
237.093583288 u |
| Formula |
C11H15N3OS |
| InChI |
InChI=1S/C11H15N3OS/c1-7-6-9(15)14-10(13-7)16-8-4-2-3-5-11(8,14)12/h6,8H,2-5,12H2,1H3 |
| InChIKey |
PAEICRHAAFKCGO-UHFFFAOYSA-N |
| Molecular Weight |
237.321 g/mol |
| SMILES |
C=12SC3C(N2C(C=C(N1)C)=O)(CCCC3)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.858838 |
![5a-Amino-2-methyl-5a,6,7,8,9,9a-hexahydro-4H-pyrimido[2,1-b]benzothiazol-4-one](/api/spectrum/9C0PsN1ADfg/structure.png?h=300&w=458 "5a-Amino-2-methyl-5a,6,7,8,9,9a-hexahydro-4H-pyrimido[2,1-b]benzothiazol-4-one")
