| SpectraBase Compound ID | 817vQiy4WnI |
|---|---|
| InChI | InChI=1S/C10H19N/c1-9(2)5-4-6-10(3)7-8-11/h9-10H,4-7H2,1-3H3/t10-/m0/s1 |
| InChIKey | SAPMLSXAXRULJB-JTQLQIEISA-N |
| Mol Weight | 153.27 g/mol |
| Molecular Formula | C10H19N |
| Exact Mass | 153.15175 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LiM2MF0fLiO |
|---|---|
| Name | (3S)-Dihydrocitronellylnitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 153.151749616 u |
| Formula | C10H19N |
| InChI | InChI=1S/C10H19N/c1-9(2)5-4-6-10(3)7-8-11/h9-10H,4-7H2,1-3H3/t10-/m0/s1 |
| InChIKey | SAPMLSXAXRULJB-JTQLQIEISA-N |
| Molecular Weight | 153.269 g/mol |
| SMILES | C(C(C)C)CC[C@](C)(CC#N)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.957075 |