| SpectraBase Compound ID | CfmFMJogcx7 |
|---|---|
| InChI | InChI=1S/C12H25NOS/c1-10(2)6-8-13(12(14)15-5)9-7-11(3)4/h10-11H,6-9H2,1-5H3 |
| InChIKey | PVCWXXAAGOYSIU-UHFFFAOYSA-N |
| Mol Weight | 231.4 g/mol |
| Molecular Formula | C12H25NOS |
| Exact Mass | 231.165686 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6Lp6XmJUriL |
|---|---|
| Name | N,N-di(3-Methylbutyl)-S-methylthiocarbamate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.165685602 u |
| Formula | C12H25NOS |
| InChI | InChI=1S/C12H25NOS/c1-10(2)6-8-13(12(14)15-5)9-7-11(3)4/h10-11H,6-9H2,1-5H3 |
| InChIKey | PVCWXXAAGOYSIU-UHFFFAOYSA-N |
| Molecular Weight | 231.398 g/mol |
| SMILES | CSC(=O)N(CCC(C)C)CCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.966134 |