| SpectraBase Compound ID | Eg4DMlmrYmi |
|---|---|
| InChI | InChI=1S/C10H17NS/c1-9(7-11)8-12-6-5-10(2,3)4/h5-6,9H,8H2,1-4H3/b6-5+ |
| InChIKey | MLOJXXLDHRTZJL-AATRIKPKSA-N |
| Mol Weight | 183.31 g/mol |
| Molecular Formula | C10H17NS |
| Exact Mass | 183.108171 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | m4C9GqnHCd |
|---|---|
| Name | (E)-3,3-Dimethylbut-1-en-1-yl 2-cyanopyopyl sulfide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 183.108170725 u |
| Formula | C10H17NS |
| InChI | InChI=1S/C10H17NS/c1-9(7-11)8-12-6-5-10(2,3)4/h5-6,9H,8H2,1-4H3/b6-5+ |
| InChIKey | MLOJXXLDHRTZJL-AATRIKPKSA-N |
| Molecular Weight | 183.313 g/mol |
| SMILES | C(#N)C(CS\C=C\C(C)(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.939878 |