| SpectraBase Spectrum ID |
BE31yW6h0rp |
| Name |
2,6-bis(p-Methoxyphenyl)-3,5-dichloro-4H-thiopyran-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
392.004070882 u |
| Formula |
C19H14Cl2O3S |
| InChI |
InChI=1S/C19H14Cl2O3S/c1-23-13-7-3-11(4-8-13)18-15(20)17(22)16(21)19(25-18)12-5-9-14(24-2)10-6-12/h3-10H,1-2H3 |
| InChIKey |
XYLJQOZHZIQRGG-UHFFFAOYSA-N |
| Molecular Weight |
393.284 g/mol |
| SMILES |
C=1C(=CC=C(C1)C1=C(C(=O)C(Cl)=C(S1)C1=CC=C(C=C1)OC)Cl)OC |
| Spectrum/Structure Validation Score (Raman) |
0.99231 |
