| SpectraBase Spectrum ID |
9Vqb8C8eAiy |
| Name |
Methanimidothioic acid, N-(1,1-dimethylethyl)-, butyl ester, N-oxide, (Z)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
189.118735409 u |
| Formula |
C9H19NOS |
| InChI |
InChI=1S/C9H19NOS/c1-5-6-7-12-8-10(11)9(2,3)4/h8H,5-7H2,1-4H3/b10-8- |
| InChIKey |
NEAHZYFHFJLWCH-NTMALXAHSA-N |
| Molecular Weight |
189.317 g/mol |
| SMILES |
C(\[N+](=C\SCCCC)[O-])(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955705 |
