| SpectraBase Compound ID | DBcFW1bslo4 |
|---|---|
| InChI | InChI=1S/C8H8F6O4/c1-4(18-6(16)8(12,13)14)2-3-17-5(15)7(9,10)11/h4H,2-3H2,1H3 |
| InChIKey | PSRMONJRWAGZAS-UHFFFAOYSA-N |
| Mol Weight | 282.14 g/mol |
| Molecular Formula | C8H8F6O4 |
| Exact Mass | 282.032678 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | LcmdmltyAGF |
|---|---|
| Name | 1,3-Butanediol, bis(trifluoroacetate) |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.032677712 u |
| Formula | C8H8F6O4 |
| InChI | InChI=1S/C8H8F6O4/c1-4(18-6(16)8(12,13)14)2-3-17-5(15)7(9,10)11/h4H,2-3H2,1H3 |
| InChIKey | PSRMONJRWAGZAS-UHFFFAOYSA-N |
| Molecular Weight | 282.138 g/mol |
| SMILES | C(F)(F)(F)C(OC(CCOC(C(F)(F)F)=O)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.982122 |