| SpectraBase Compound ID | 2LwiQTbUT5l |
|---|---|
| InChI | InChI=1S/C14H24O/c1-13(2,3)11-7-8-15-10-12(9-11)14(4,5)6/h7,9H,8,10H2,1-6H3 |
| InChIKey | KPMRCCVAFXCIDZ-UHFFFAOYSA-N |
| Mol Weight | 208.34 g/mol |
| Molecular Formula | C14H24O |
| Exact Mass | 208.182715 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7LiY20KWEce |
|---|---|
| Name | 3,5-Ditert-butyl-2,7-dihydrooxepin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.182715392 u |
| Formula | C14H24O |
| InChI | InChI=1S/C14H24O/c1-13(2,3)11-7-8-15-10-12(9-11)14(4,5)6/h7,9H,8,10H2,1-6H3 |
| InChIKey | KPMRCCVAFXCIDZ-UHFFFAOYSA-N |
| Molecular Weight | 208.345 g/mol |
| SMILES | C=1C(C(C)(C)C)=CCOCC1C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959716 |