| SpectraBase Compound ID | 6O8aMuZSEEl |
|---|---|
| InChI | InChI=1S/C17H14Cl2OS/c18-14-7-3-1-5-12(14)16-9-11(20)10-17(21-16)13-6-2-4-8-15(13)19/h1-8,16-17H,9-10H2/t16-,17-/m0/s1 InChI=1S/C17H14Cl2OS/c18-14-7-3-1-5-12(14)16-9-11(20)10-17(21-16)13-6-2-4-8-15(13)19/h1-8,16-17H,9-10H2/t16-,17-/m1/s1 |
| InChIKey | XJUUKKHQFFMHIC-IRXDYDNUSA-N |
| Mol Weight | 337.26 g/mol |
| Molecular Formula | C17H14Cl2OS |
| Exact Mass | 336.014242 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Ly12sPpoEEo |
|---|---|
| Name | cis-2,6-bis(o-Chlorophenyl)tetrahydro-4H-thiopyran-4-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.014241644 u |
| Formula | C17H14Cl2OS |
| InChI | InChI=1S/C17H14Cl2OS/c18-14-7-3-1-5-12(14)16-9-11(20)10-17(21-16)13-6-2-4-8-15(13)19/h1-8,16-17H,9-10H2/t16-,17-/m0/s1 |
| InChIKey | XJUUKKHQFFMHIC-IRXDYDNUSA-N |
| Molecular Weight | 337.264 g/mol |
| SMILES | C=1(Cl)C(=CC=CC1)[C@@]1(CC(C[C@](S1)(C=1C=CC=CC1Cl)[H])=O)[H] |
| Spectrum/Structure Validation Score (Raman) | 0.963974 |