| SpectraBase Compound ID | CHCfA6nVoK |
|---|---|
| InChI | 1S/C7H10O2/c1-5-6(8)9-7(2,3)4/h1H,2-4H3 |
| InChIKey | XGTPDIIFEPTULX-UHFFFAOYSA-N |
| Mol Weight | 126.15 g/mol |
| Molecular Formula | C7H10O2 |
| Exact Mass | 126.06808 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 3QvL5DW05P6 |
|---|---|
| Name | Tert-butyl propiolate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 126.068079560 u |
| Formula | C7H10O2 |
| InChI | InChI=1S/C7H10O2/c1-5-6(8)9-7(2,3)4/h1H,2-4H3 |
| InChIKey | XGTPDIIFEPTULX-UHFFFAOYSA-N |
| Molecular Weight | 126.155 g/mol |
| SMILES | C(C(OC(C)(C)C)=O)#C |
| Spectrum/Structure Validation Score (Raman) | 0.785701 |