| SpectraBase Spectrum ID |
Ls7UInIg3pv |
| Name |
Docosyl caffeate, di-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 |
632.465613736 u |
| Formula |
C37H68O4Si2 |
| GC Column |
HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness) |
| InChI |
InChI=1S/C37H68O4Si2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-32-39-37(38)31-29-34-28-30-35(40-42(2,3)4)36(33-34)41-43(5,6)7/h28-31,33H,8-27,32H2,1-7H3/b31-29+ |
| InChIKey |
ZRXKZQYFWMQBFE-OWWNRXNESA-N |
| Molecular Weight |
633.117 g/mol |
| Nominal Mass |
632 u |
| Number of Peaks |
77 |
| SMILES |
C(CCCCCCCCCCCCOC(\C=C\c1cc(c(cc1)O[Si](C)(C)C)O[Si](C)(C)C)=O)CCCCCCCCC |
| SPLASH |
splash10-053r-8254009000-f3d7f54521a490ee9671 |
| Source |
birch (B. pubescens) bark |
| Source of Spectrum |
Biologically and Environmentally Important Organic Compounds: GCMS Library |
| Synonyms |
1-Docosyl caffeate, di-TMS |
| Wiley ID |
VI000921 |
