| SpectraBase Spectrum ID |
IispACfTQUd |
| Name |
Neoheperidose, 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 |
830.397984447 u |
| Formula |
C33H78O10Si7 |
| GC Column |
HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness) |
| InChI |
InChI=1S/C33H78O10Si7/c1-24-26(38-45(5,6)7)28(40-47(11,12)13)31(42-49(17,18)19)32(35-24)37-30-29(41-48(14,15)16)27(39-46(8,9)10)25(23-34-44(2,3)4)36-33(30)43-50(20,21)22/h24-33H,23H2,1-22H3 |
| InChIKey |
LIEQDIGKMQXBOZ-UHFFFAOYSA-N |
| Molecular Weight |
831.572 g/mol |
| Nominal Mass |
830 u |
| Number of Peaks |
376 |
| SMILES |
C1(OC(C(C(C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC1C(OC(C(C1O[Si](C)(C)C)O[Si](C)(C)C)CO[Si](C)(C)C)O[Si](C)(C)C)C |
| SPLASH |
splash10-00xr-7962000000-e78be5171cda94141d49 |
| Source |
L. Poblocka-Olech |
| Source of Spectrum |
Biologically and Environmentally Important Organic Compounds: GCMS Library |
| Wiley ID |
VI001959 |
