| SpectraBase Spectrum ID |
8PGLL1Obnni |
| Name |
Cellobioseoctaacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
678.200728985 u |
| Formula |
C28H38O19 |
| InChI |
InChI=1S/C28H38O19/c1-11(29)38-21-19(26(43-16(6)34)47-28(45-18(8)36)24(21)41-14(4)32)9-37-10-20-22(39-12(2)30)23(40-13(3)31)25(42-15(5)33)27(46-20)44-17(7)35/h19-28H,9-10H2,1-8H3 |
| InChIKey |
YHVXCTBIPSXMMD-UHFFFAOYSA-N |
| SMILES |
C1(C(C(C(OC1OC(C)=O)COCC1C(C(C(OC1OC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.906035 |
