![Bicyclo[2.2.2]octane, 1-chloro-3,3-dimethyl-](/api/spectrum/6GnFP4c5W2z/structure.png?h=300&w=458 "Bicyclo[2.2.2]octane, 1-chloro-3,3-dimethyl-")
| SpectraBase Compound ID | 8Gmae8QklgY |
|---|---|
| InChI | InChI=1S/C10H17Cl/c1-9(2)7-10(11)5-3-8(9)4-6-10/h8H,3-7H2,1-2H3 |
| InChIKey | YJJBUOGGOAPRTD-UHFFFAOYSA-N |
| Mol Weight | 172.7 g/mol |
| Molecular Formula | C10H17Cl |
| Exact Mass | 172.101878 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 | 6GnFP4c5W2z |
|---|---|
| Name | Bicyclo[2.2.2]octane, 1-chloro-3,3-dimethyl- |
| 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/c1-9(2)7-10(11)5-3-8(9)4-6-10/h8H,3-7H2,1-2H3 |
| InChIKey | YJJBUOGGOAPRTD-UHFFFAOYSA-N |
| Molecular Weight | 172.699 g/mol |
| SMILES | C1(CC2(Cl)CCC1CC2)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.879477 |