| SpectraBase Compound ID | LQNBRaGzo1x |
|---|---|
| InChI | InChI=1S/C13H16O/c1-13(2,3)11-14-10-9-12-7-5-4-6-8-12/h4-8H,11H2,1-3H3 |
| InChIKey | OYCDCCXZFPKYPK-UHFFFAOYSA-N |
| Mol Weight | 188.27 g/mol |
| Molecular Formula | C13H16O |
| Exact Mass | 188.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9ZmEX69jex0 |
|---|---|
| Name | 1-(Neopentyloxy)-2-phenylethyne |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.120115134 u |
| Formula | C13H16O |
| InChI | InChI=1S/C13H16O/c1-13(2,3)11-14-10-9-12-7-5-4-6-8-12/h4-8H,11H2,1-3H3 |
| InChIKey | OYCDCCXZFPKYPK-UHFFFAOYSA-N |
| Molecular Weight | 188.270 g/mol |
| SMILES | C=1C=C(C#COCC(C)(C)C)C=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.92882 |