| SpectraBase Compound ID | 88TtaUJUAqK |
|---|---|
| InChI | InChI=1S/C9H19NOS/c1-5-10(6-2)9(11)12-7-8(3)4/h8H,5-7H2,1-4H3 |
| InChIKey | WGKOKPIEDHDVDS-UHFFFAOYSA-N |
| Mol Weight | 189.32 g/mol |
| Molecular Formula | C9H19NOS |
| Exact Mass | 189.118735 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | EupQOsUbLPF |
|---|---|
| Name | S-Isobutyl diethylthiocarbamate |
| 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/c1-5-10(6-2)9(11)12-7-8(3)4/h8H,5-7H2,1-4H3 |
| InChIKey | WGKOKPIEDHDVDS-UHFFFAOYSA-N |
| Molecular Weight | 189.317 g/mol |
| SMILES | CCN(C(SCC(C)C)=O)CC |
| Spectrum/Structure Validation Score (Raman) | 0.872808 |