| SpectraBase Compound ID | 9NVPHsRVTXD |
|---|---|
| InChI | InChI=1S/C10H15NO2/c1-4-5-6-7-10(3,8-11)13-9(2)12/h4H,1,5-7H2,2-3H3 |
| InChIKey | HQSSVYBZAJRLHK-UHFFFAOYSA-N |
| Mol Weight | 181.23 g/mol |
| Molecular Formula | C10H15NO2 |
| Exact Mass | 181.110279 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LnbCrR3LL6C |
|---|---|
| Name | 6-Heptenenitrile, 2-(acetyloxy)-2-methyl-, (.+-.)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 181.110278725 u |
| Formula | C10H15NO2 |
| InChI | InChI=1S/C10H15NO2/c1-4-5-6-7-10(3,8-11)13-9(2)12/h4H,1,5-7H2,2-3H3 |
| InChIKey | HQSSVYBZAJRLHK-UHFFFAOYSA-N |
| Molecular Weight | 181.235 g/mol |
| SMILES | C(#N)C(OC(=O)C)(CCCC=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.88331 |