| SpectraBase Compound ID | 3AowlzJCE99 |
|---|---|
| InChI | InChI=1S/C8H13NO3/c1-10-4-3-8(5-9)6-12-7-11-2/h3H,4,6-7H2,1-2H3/b8-3- |
| InChIKey | IOJGKOREUHUBNV-BAQGIRSFSA-N |
| Mol Weight | 171.2 g/mol |
| Molecular Formula | C8H13NO3 |
| Exact Mass | 171.089543 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | BZItNxguigJ |
|---|---|
| Name | (Z)-4-Methoxy-2-(methoxymethoxymethyl)-2-butenenitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 171.089543280 u |
| Formula | C8H13NO3 |
| InChI | InChI=1S/C8H13NO3/c1-10-4-3-8(5-9)6-12-7-11-2/h3H,4,6-7H2,1-2H3/b8-3- |
| InChIKey | IOJGKOREUHUBNV-BAQGIRSFSA-N |
| Molecular Weight | 171.196 g/mol |
| SMILES | C(#N)\C(=C\COC)COCOC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.958587 |