| SpectraBase Compound ID | INdmLMM6ZLP |
|---|---|
| InChI | InChI=1S/C10H17BrO3/c1-9(2,13)8-6-7(12)10(3,14-8)4-5-11/h4-5,7-8,12-13H,6H2,1-3H3/b5-4+/t7-,8-,10+/m0/s1 |
| InChIKey | OPSVNFHESYGGIF-PXGKHDNCSA-N |
| Mol Weight | 265.15 g/mol |
| Molecular Formula | C10H17BrO3 |
| Exact Mass | 264.036107 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8zs7cMB5YNX |
|---|---|
| Name | Pantoisofuranoid-A |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.036107404 u |
| Formula | C10H17BrO3 |
| InChI | InChI=1S/C10H17BrO3/c1-9(2,13)8-6-7(12)10(3,14-8)4-5-11/h4-5,7-8,12-13H,6H2,1-3H3/b5-4+/t7-,8-,10+/m0/s1 |
| InChIKey | OPSVNFHESYGGIF-PXGKHDNCSA-N |
| Molecular Weight | 265.147 g/mol |
| SMILES | [C@]1(\C=C\Br)(C)[C@@](O)(C[C@](O1)(C(O)(C)C)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.867949 |