| SpectraBase Spectrum ID |
2BbQVFYU4sJ |
| Name |
Octadecyl ferulate, 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 |
518.379136750 u |
| Formula |
C31H54O4Si |
| GC Column |
HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness) |
| InChI |
InChI=1S/C31H54O4Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-34-31(32)25-23-28-22-24-29(30(27-28)33-2)35-36(3,4)5/h22-25,27H,6-21,26H2,1-5H3/b25-23+ |
| InChIKey |
VKTGNXBPEQWPLJ-WJTDDFOZSA-N |
| Molecular Weight |
518.854 g/mol |
| Nominal Mass |
518 u |
| Number of Peaks |
58 |
| SMILES |
C[Si](C)(Oc1c(cc(\C=C\C(OCCCCCCCCCCCCCCCCCC)=O)cc1)OC)C |
| SPLASH |
splash10-014i-5390080000-20ad591bc5c9873b4d80 |
| Source |
spruce (A. excelsa) bark; oak (Q. rubra) buds |
| Source of Spectrum |
Biologically and Environmentally Important Organic Compounds: GCMS Library |
| Synonyms |
1-Octadecyl ferulate, mono-TMS |
| Wiley ID |
VI000753 |
