| SpectraBase Compound ID | 2fjtV01D8Ib |
|---|---|
| InChI | InChI=1S/C9H17Cl/c1-5-6-8(2)7-9(3,4)10/h5-6,8H,7H2,1-4H3/b6-5+ |
| InChIKey | KHWYBCFSFAXCDS-AATRIKPKSA-N |
| Mol Weight | 160.69 g/mol |
| Molecular Formula | C9H17Cl |
| Exact Mass | 160.101878 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 | 1gpVMTXaUjq |
|---|---|
| Name | 2-Heptene, 6-chloro-4,6-dimethyl-, (E)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.101878247 u |
| Formula | C9H17Cl |
| InChI | InChI=1S/C9H17Cl/c1-5-6-8(2)7-9(3,4)10/h5-6,8H,7H2,1-4H3/b6-5+ |
| InChIKey | KHWYBCFSFAXCDS-AATRIKPKSA-N |
| Molecular Weight | 160.688 g/mol |
| SMILES | C(CC(\C=C\C)C)(Cl)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.966011 |