| SpectraBase Spectrum ID |
70b9kLyTD7N |
| Name |
1-[2-(2.4,6-Triisopropylphenyl)sulfinyl]phenyl]-3-buten-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.212301442 u |
| Formula |
C25H32O2S |
| InChI |
InChI=1S/C25H32O2S/c1-8-11-23(26)20-12-9-10-13-24(20)28(27)25-21(17(4)5)14-19(16(2)3)15-22(25)18(6)7/h8-10,12-18H,1,11H2,2-7H3 |
| InChIKey |
MRWMBMUDOYSNKG-UHFFFAOYSA-N |
| Molecular Weight |
396.589 g/mol |
| SMILES |
C1(S(C2=C(C(=O)CC=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) |
0.933507 |
![1-[2-(2.4,6-Triisopropylphenyl)sulfinyl]phenyl]-3-buten-1-one](/api/spectrum/70b9kLyTD7N/structure.png?h=300&w=458 "1-[2-(2.4,6-Triisopropylphenyl)sulfinyl]phenyl]-3-buten-1-one")
