| SpectraBase Compound ID | 9ZtfNvByoAZ |
|---|---|
| InChI | InChI=1S/C12H7F3OS/c13-12(14,15)11(16)17-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H |
| InChIKey | WIXGCFDIHKDEKB-UHFFFAOYSA-N |
| Mol Weight | 256.24 g/mol |
| Molecular Formula | C12H7F3OS |
| Exact Mass | 256.016971 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 2keIOidtDM0 |
|---|---|
| Name | 1-Naphthalenethiol, S-trifluoroacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.016970507 u |
| Formula | C12H7F3OS |
| InChI | InChI=1S/C12H7F3OS/c13-12(14,15)11(16)17-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H |
| InChIKey | WIXGCFDIHKDEKB-UHFFFAOYSA-N |
| Molecular Weight | 256.242 g/mol |
| SMILES | C1(SC(C(F)(F)F)=O)=C2C(=CC=C1)C=CC=C2 |