| SpectraBase Compound ID | 1wIkxHmLD3U |
|---|---|
| InChI | InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h4,7,9H,5-6H2,1-3H3 |
| InChIKey | KQAZVFVOEIRWHN-UHFFFAOYSA-N |
| Mol Weight | 136.24 g/mol |
| Molecular Formula | C10H16 |
| Exact Mass | 136.125201 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GVhbVw9Aqhx |
|---|---|
| Name | Thujen |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 136.125200515 u |
| Formula | C10H16 |
| InChI | InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h4,7,9H,5-6H2,1-3H3 |
| InChIKey | KQAZVFVOEIRWHN-UHFFFAOYSA-N |
| Molecular Weight | 136.238 g/mol |
| SMILES | CC(C12C(C(C)=CC2)C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.940148 |