| SpectraBase Compound ID | Pa36sTv2ms |
|---|---|
| InChI | InChI=1S/C14H5F25S/c15-3(16,1-2-40)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)13(35,36)14(37,38)39/h40H,1-2H2 |
| InChIKey | VINOXRJHEBZURZ-UHFFFAOYSA-N |
| Mol Weight | 680.21 g/mol |
| Molecular Formula | C14H5F25S |
| Exact Mass | 679.971275 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AWGxOTWsEMm |
|---|---|
| Name | 1-Tetradecanethiol, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluoro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 679.971275410 u |
| Formula | C14H5F25S |
| InChI | InChI=1S/C14H5F25S/c15-3(16,1-2-40)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)13(35,36)14(37,38)39/h40H,1-2H2 |
| InChIKey | VINOXRJHEBZURZ-UHFFFAOYSA-N |
| Molecular Weight | 680.214 g/mol |
| SMILES | C(CS)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.91628 |