| SpectraBase Spectrum ID |
LFfXNJOJI3N |
| Name |
Phenylethyl 3-acetoxy-(E)-caffeate, 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 |
398.154950467 u |
| Formula |
C22H26O5Si |
| GC Column |
HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness) |
| InChI |
InChI=1S/C22H26O5Si/c1-17(23)26-21-16-19(10-12-20(21)27-28(2,3)4)11-13-22(24)25-15-14-18-8-6-5-7-9-18/h5-13,16H,14-15H2,1-4H3/b13-11+ |
| InChIKey |
JLGGKGJZXSCANR-ACCUITESSA-N |
| Molecular Weight |
398.530 g/mol |
| Nominal Mass |
398 u |
| Number of Peaks |
195 |
| SMILES |
c1c(c(ccc1\C=C\C(OCCc1ccccc1)=O)O[Si](C)(C)C)OC(C)=O |
| SPLASH |
splash10-052r-3492000000-4967a5c5bef138a98df2 |
| Source |
poplar (P. nigra) buds; poplar-type propolis |
| Source of Spectrum |
Biologically and Environmentally Important Organic Compounds: GCMS Library |
| Synonyms |
2-Phenylethyl-3-acetyloxy-(E)-caffeate, mono-TMS |
| Wiley ID |
VI000417 |
