| SpectraBase Spectrum ID |
IsPCTe18XqF |
| Name |
Pinifolic acid, mono-TMS |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
408.269586299 u |
| Formula |
C23H40O4Si |
| GC Column |
HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness) |
| InChI |
InChI=1S/C23H40O4Si/c1-16(15-20(24)27-28(5,6)7)9-11-18-17(2)10-12-19-22(18,3)13-8-14-23(19,4)21(25)26/h16,18-19H,2,8-15H2,1,3-7H3,(H,25,26) |
| InChIKey |
LEIZNGLHDBKBHK-UHFFFAOYSA-N |
| Molecular Weight |
408.654 g/mol |
| Nominal Mass |
408 u |
| Number of Peaks |
36 |
| SMILES |
OC(C1(CCCC2(C(CCC(C)CC(=O)O[Si](C)(C)C)C(CCC12)=C)C)C)=O |
| SPLASH |
splash10-00di-7902000000-1ebce811bbb07b3f8650 |
| Source |
pine (P. sylvestris) needles |
| Source of Spectrum |
Biologically and Environmentally Important Organic Compounds: GCMS Library |
| Wiley ID |
VI000552 |
