SpectraBase Spectrum ID |
4Sg0xVtFlqO |
Name |
11-oxohexacyclo[6.6.0.0(3,7).0(4,14).0(5,12).0(6,10)]tetradecanyl p-toluenesulfonate |
CAS Registry Number |
112533-32-1 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C21H22O4S |
InChI |
InChI=1S/C21H22O4S/c1-8-2-4-9(5-3-8)26(23,24)25-21-13-7-12-16-14-10-6-11(18(14)20(12)22)19(21)15(10)17(13)16/h2-5,10-19,21H,6-7H2,1H3 |
InChIKey |
MOPTTZMBMIPABD-UHFFFAOYSA-N |
Molecular Weight |
370.463 g/mol |
SMILES |
C1(OS(c2ccc(cc2)C)(=O)=O)C2C3C4C5C6C3C1CC6C(C5C2C4)=O |
SPLASH |
splash10-0002-0900000000-1ebfa8c1d6bf55149e61 |
Source of Spectrum |
J-53-1103-7 |
Wiley ID |
1354297 |