SpectraBase Spectrum ID |
EwrrP6LDfK3 |
Name |
2-[(2,4,6-Triisopropylphenyl)sulfinyl]acetophenone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
370.196651378 u |
Formula |
C23H30O2S |
InChI |
InChI=1S/C23H30O2S/c1-14(2)18-12-20(15(3)4)23(21(13-18)16(5)6)26(25)22-11-9-8-10-19(22)17(7)24/h8-16H,1-7H3 |
InChIKey |
MFPJYGDSSJWWJG-UHFFFAOYSA-N |
Molecular Weight |
370.551 g/mol |
SMILES |
C1(S(C2=C(C(=O)C)C=CC=C2)=O)=C(C=C(C=C1C(C)C)C(C)C)C(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947482 |