| SpectraBase Compound ID | uXI62QT6nR |
|---|---|
| InChI | InChI=1S/C20H31BrO2/c1-12(2)16-10-19(4)11-17(23-19)15(16)8-13(3)14-6-7-20(5,22)18(21)9-14/h14-18,22H,1,3,6-11H2,2,4-5H3/t14-,15-,16-,17+,18-,19+,20+/m1/s1 |
| InChIKey | NFNFPHXXILVTBW-VMJIZDNZSA-N |
| Mol Weight | 383.37 g/mol |
| Molecular Formula | C20H31BrO2 |
| Exact Mass | 382.150743 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3GVwaCvTCU6 |
|---|---|
| Name | Prevezol B |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 382.150743236 u |
| Formula | C20H31BrO2 |
| InChI | InChI=1S/C20H31BrO2/c1-12(2)16-10-19(4)11-17(23-19)15(16)8-13(3)14-6-7-20(5,22)18(21)9-14/h14-18,22H,1,3,6-11H2,2,4-5H3/t14-,15-,16-,17+,18-,19+,20+/m1/s1 |
| InChIKey | NFNFPHXXILVTBW-VMJIZDNZSA-N |
| Molecular Weight | 383.370 g/mol |
| SMILES | [C@]1([C@]2(O[C@](C[C@@]1(C(=C)C)[H])(C)C2)[H])(CC([C@]1(C[C@@](Br)([C@](CC1)(O)C)[H])[H])=C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.833111 |