SpectraBase Spectrum ID |
3kcpLierTkk |
Name |
Poly(thiocarbonate) of bisphenol A |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
300.118401056 u |
Formula |
C18H20O2S |
InChI |
InChI=1S/C18H20O2S/c1-13(21)20-17-11-7-15(8-12-17)18(2,3)14-5-9-16(19-4)10-6-14/h5-12H,1-4H3 |
InChIKey |
DVRMZIJTJRKWQF-UHFFFAOYSA-N |
Molecular Weight |
300.416 g/mol |
Nominal Mass |
300 u |
SMILES |
COC1=CC=C(C=C1)C(C)(C)C=1C=CC(=CC1)OC(=S)C |
Spectrum/Structure Validation Score (Raman) |
0.981243 |