| SpectraBase Spectrum ID |
I2kupLp5uo3 |
| Name |
cis-2,6-bis(o-Chlorophenyl)tetrahydrothiopyran-4^E-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.029891708 u |
| Formula |
C17H16Cl2OS |
| InChI |
InChI=1S/C17H16Cl2OS/c18-14-7-3-1-5-12(14)16-9-11(20)10-17(21-16)13-6-2-4-8-15(13)19/h1-8,11,16-17,20H,9-10H2/t11?,16-,17+ |
| InChIKey |
MOBRTZZXJATLBS-PPOQKSSISA-N |
| Molecular Weight |
339.280 g/mol |
| SMILES |
OC1C[C@@](S[C@](C2=C(C=CC=C2)Cl)(C1)[H])(C=1C=CC=CC1Cl)[H] |
| Spectrum/Structure Validation Score (Raman) |
0.952471 |
