| SpectraBase Spectrum ID |
4UIAaa0KyIs |
| Name |
Coniferyl caffeate, tri-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 |
558.228918671 u |
| Formula |
C28H42O6Si3 |
| GC Column |
HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness) |
| InChI |
InChI=1S/C28H42O6Si3/c1-30-26-20-22(13-16-24(26)32-35(2,3)4)12-11-19-31-28(29)18-15-23-14-17-25(33-36(5,6)7)27(21-23)34-37(8,9)10/h11-18,20-21H,19H2,1-10H3/b12-11+,18-15+ |
| InChIKey |
KTQQRAFVHLVKLQ-OBMWWMMPSA-N |
| Molecular Weight |
558.893 g/mol |
| Nominal Mass |
558 u |
| Number of Peaks |
316 |
| SMILES |
c1c(cc(c(c1)O[Si](C)(C)C)OC)\C=C\COC(\C=C\c1ccc(c(c1)O[Si](C)(C)C)O[Si](C)(C)C)=O |
| SPLASH |
splash10-0a4i-4489010000-f91b8db1c2dc5c64fe10 |
| Source |
birch (B. pubescens) buds; propolis |
| Source of Spectrum |
Biologically and Environmentally Important Organic Compounds: GCMS Library |
| Wiley ID |
VI000338 |
