| SpectraBase Compound ID | IWbCPqBbcVP |
|---|---|
| InChI | InChI=1S/C10H17Cl/c1-5-10(11)9(4)7-6-8(2)3/h5,8H,1,6-7H2,2-4H3/b10-9- |
| InChIKey | BUBCCDRVZWVUOL-KTKRTIGZSA-N |
| Mol Weight | 172.7 g/mol |
| Molecular Formula | C10H17Cl |
| Exact Mass | 172.101878 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 42cH218nqNQ |
|---|---|
| Name | (3Z)-3-Chloranyl-4,7-dimethyl-octa-1,3-diene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.101878247 u |
| Formula | C10H17Cl |
| InChI | InChI=1S/C10H17Cl/c1-5-10(11)9(4)7-6-8(2)3/h5,8H,1,6-7H2,2-4H3/b10-9- |
| InChIKey | BUBCCDRVZWVUOL-KTKRTIGZSA-N |
| Molecular Weight | 172.699 g/mol |
| SMILES | C(\C(=C\(C=C)Cl)C)CC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.952999 |