| SpectraBase Compound ID | z5DGfs8UAm |
|---|---|
| InChI | InChI=1S/C8H12BrNO/c1-11-8(7-10)5-3-2-4-6-9/h5H,2-4,6H2,1H3/b8-5- |
| InChIKey | CTJNVVFHHJQUOS-YVMONPNESA-N |
| Mol Weight | 218.09 g/mol |
| Molecular Formula | C8H12BrNO |
| Exact Mass | 217.010227 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 | 41miRluFgzH |
|---|---|
| Name | (Z)-7-Bromo-2-methoxy-2-heptenenitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.010227009 u |
| Formula | C8H12BrNO |
| InChI | InChI=1S/C8H12BrNO/c1-11-8(7-10)5-3-2-4-6-9/h5H,2-4,6H2,1H3/b8-5- |
| InChIKey | CTJNVVFHHJQUOS-YVMONPNESA-N |
| Molecular Weight | 218.094 g/mol |
| SMILES | C(#N)\C(=C\CCCCBr)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.913768 |