| SpectraBase Compound ID | COiQB2crcCL |
|---|---|
| InChI | InChI=1S/C7H11NO2/c1-2-3-4-5-6-7-8(9)10/h2-4H,1,5-7H2/b4-3+ |
| InChIKey | PLYHIDIGFQSEBV-ONEGZZNKSA-N |
| Mol Weight | 141.17 g/mol |
| Molecular Formula | C7H11NO2 |
| Exact Mass | 141.078979 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 | A9RcEuHuiHV |
|---|---|
| Name | (E,E)-1-Nitrohepta-4,6-dienef |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 141.078978596 u |
| Formula | C7H11NO2 |
| InChI | InChI=1S/C7H11NO2/c1-2-3-4-5-6-7-8(9)10/h2-4H,1,5-7H2/b4-3+ |
| InChIKey | PLYHIDIGFQSEBV-ONEGZZNKSA-N |
| SMILES | C(N(=O)=O)CC\C=C\C=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955152 |