| SpectraBase Compound ID | 3lNhNyUfp6m |
|---|---|
| InChI | InChI=1S/C12H25NOS/c1-4-6-8-10-13(12(14)15-3)11-9-7-5-2/h4-11H2,1-3H3 |
| InChIKey | VMFUTMUVLRYFJF-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 | 6Gg4soaCoq0 |
|---|---|
| Name | N,N-Dipentyl-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/c1-4-6-8-10-13(12(14)15-3)11-9-7-5-2/h4-11H2,1-3H3 |
| InChIKey | VMFUTMUVLRYFJF-UHFFFAOYSA-N |
| Molecular Weight | 231.398 g/mol |
| SMILES | CSC(=O)N(CCCCC)CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.971911 |