| SpectraBase Spectrum ID |
1QV4da4Oae |
| Name |
Neochlorogenic acid, hexa-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 |
786.332242906 u |
| Formula |
C34H66O9Si6 |
| GC Column |
HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness) |
| InChI |
InChI=1S/C34H66O9Si6/c1-44(2,3)38-27-21-19-26(23-28(27)39-45(4,5)6)20-22-31(35)37-29-24-34(43-49(16,17)18,33(36)42-48(13,14)15)25-30(40-46(7,8)9)32(29)41-47(10,11)12/h19-23,29-30,32H,24-25H2,1-18H3/b22-20+ |
| InChIKey |
ZUMPKHAQJVFOSF-LSDHQDQOSA-N |
| Molecular Weight |
787.403 g/mol |
| Nominal Mass |
786 u |
| Number of Peaks |
176 |
| SMILES |
c1(cc(ccc1O[Si](C)(C)C)\C=C\C(=O)OC1CC(CC(C1O[Si](C)(C)C)O[Si](C)(C)C)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C |
| SPLASH |
splash10-052b-1129100000-2c607bebd8dcf322f8e1 |
| Source |
Sigma-Aldrich |
| Source of Spectrum |
Biologically and Environmentally Important Organic Compounds: GCMS Library |
| Wiley ID |
VI001285 |
