| SpectraBase Spectrum ID |
5muinUdc2ga |
| Name |
Amygdalin, hepta-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 |
961.435098231 u |
| Formula |
C41H83NO11Si7 |
| GC Column |
HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness) |
| InChI |
InChI=1S/C41H83NO11Si7/c1-54(2,3)44-29-33-35(49-56(7,8)9)36(50-57(10,11)12)38(52-59(16,17)18)40(46-33)43-28-32-34(48-55(4,5)6)37(51-58(13,14)15)39(53-60(19,20)21)41(47-32)45-31(27-42)30-25-23-22-24-26-30/h22-26,31-41H,28-29H2,1-21H3 |
| InChIKey |
UJUBJQFRHXOUQG-UHFFFAOYSA-N |
| Molecular Weight |
962.706 g/mol |
| Nominal Mass |
961 u |
| Number of Peaks |
386 |
| SMILES |
c1c(cccc1)C(OC1OC(COC2OC(C(C(C2O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)CO[Si](C)(C)C)C(C(C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C#N |
| SPLASH |
splash10-0udi-2491000000-7ae399a2e969760b4a6a |
| Source |
Sigma-Aldrich |
| Source of Spectrum |
Biologically and Environmentally Important Organic Compounds: GCMS Library |
| Synonyms |
D-Mandelonitrile-.beta.-gentiobioside, hepta-TMS |
| Wiley ID |
VI001485 |
