| SpectraBase Compound ID | KQeDvTO0G3q |
|---|---|
| InChI | InChI=1S/C7H11Br/c1-2-3-4-5-6-7-8/h3-4,6-7H,2,5H2,1H3/b4-3-,7-6- |
| InChIKey | MDDBMSOWKXNKLF-CWWKMNTPSA-N |
| Mol Weight | 175.07 g/mol |
| Molecular Formula | C7H11Br |
| Exact Mass | 174.004413 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 | 52QkaRenWJ7 |
|---|---|
| Name | (Z,Z)-1-Bromo-1,4-heptaditene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.004413354 u |
| Formula | C7H11Br |
| InChI | InChI=1S/C7H11Br/c1-2-3-4-5-6-7-8/h3-4,6-7H,2,5H2,1H3/b4-3-,7-6- |
| InChIKey | MDDBMSOWKXNKLF-CWWKMNTPSA-N |
| Molecular Weight | 175.069 g/mol |
| SMILES | C(\C=C/Br)\C=C/CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.965213 |