| SpectraBase Spectrum ID |
Jf3n6OktuJz |
| Name |
Pechueloic acid, tms ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.180771294 u |
| Formula |
C18H28O3Si |
| InChI |
InChI=1S/C18H28O3Si/c1-11-7-8-14(12(2)18(20)21-22(4,5)6)9-16-13(3)17(19)10-15(11)16/h11,14-15H,2,7-10H2,1,3-6H3/t11-,14+,15-/m0/s1 |
| InChIKey |
MSUMBZMTORCBAA-GLQYFDAESA-N |
| Molecular Weight |
320.504 g/mol |
| SMILES |
C12=C(C(=O)C[C@]2([C@](CC[C@](C1)(C(C(=O)O[Si](C)(C)C)=C)[H])(C)[H])[H])C |
