| SpectraBase Compound ID | BsY5UeYcZuC |
|---|---|
| InChI | InChI=1S/C7H15NOS/c1-6(2)5-9-7(10)8(3)4/h6H,5H2,1-4H3 |
| InChIKey | XZMMLAQAMWAFBQ-UHFFFAOYSA-N |
| Mol Weight | 161.26 g/mol |
| Molecular Formula | C7H15NOS |
| Exact Mass | 161.087435 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | J4ThHuVEGej |
|---|---|
| Name | Dimethylcarbamothioic acid, o-isobutyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 161.087435280 u |
| Formula | C7H15NOS |
| InChI | InChI=1S/C7H15NOS/c1-6(2)5-9-7(10)8(3)4/h6H,5H2,1-4H3 |
| InChIKey | XZMMLAQAMWAFBQ-UHFFFAOYSA-N |
| Molecular Weight | 161.263 g/mol |
| SMILES | CN(C)C(=S)OCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.868277 |