![2-Propen-1-one, 1-[1,1'-biphenyl]-4-yl-3,3-dimercapto-](/api/spectrum/HmjOf0RLYZV/structure.png?h=300&w=458 "2-Propen-1-one, 1-[1,1'-biphenyl]-4-yl-3,3-dimercapto-")
| SpectraBase Compound ID | 3gTVRXP0BgU |
|---|---|
| InChI | InChI=1S/C15H12OS2/c16-14(10-15(17)18)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10,17-18H |
| InChIKey | XAFZJKPQTHJAEU-UHFFFAOYSA-N |
| Mol Weight | 272.38 g/mol |
| Molecular Formula | C15H12OS2 |
| Exact Mass | 272.032957 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | HmjOf0RLYZV |
|---|---|
| Name | 2-Propen-1-one, 1-[1,1'-biphenyl]-4-yl-3,3-dimercapto- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.032957353 u |
| Formula | C15H12OS2 |
| InChI | InChI=1S/C15H12OS2/c16-14(10-15(17)18)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10,17-18H |
| InChIKey | XAFZJKPQTHJAEU-UHFFFAOYSA-N |
| SMILES | C(C(C=1C=CC(=CC1)C=1C=CC=CC1)=O)=C(S)S |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.93491 |