| SpectraBase Spectrum ID |
9yUxrHhjPoO |
| Name |
Chlorogenic acid, hexa-TMS, isomer 1 |
| 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 |
60 |
| SMILES |
C(OC1CC(C(O[Si](C)(C)C)=O)(O[Si](C)(C)C)CC(C1O[Si](C)(C)C)O[Si](C)(C)C)(\C=C\c1cc(O[Si](C)(C)C)c(cc1)O[Si](C)(C)C)=O |
| SPLASH |
splash10-0592-3249000000-0110a0f5712f3b14e1c1 |
| Source |
Aldrich; C. scolymus L.; C. palustre and C. arvense; J. regia green fruits |
| Source of Spectrum |
Biologically and Environmentally Important Organic Compounds: GCMS Library |
| Synonyms |
Chlorogenic acid, hexa-TMS, peak 1 |
| Wiley ID |
VI000062 |
