| SpectraBase Spectrum ID |
D2UsXUVY6y6 |
| Name |
2-Benzoyl-3,4-diacetyl-D-galactosan |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
350.100167532 u |
| Formula |
C17H18O8 |
| InChI |
InChI=1S/C17H18O8/c1-9(18)22-13-12-8-21-17(24-12)15(14(13)23-10(2)19)25-16(20)11-6-4-3-5-7-11/h3-7,12-15,17H,8H2,1-2H3/t12-,13+,14+,15-,17?/m1/s1 |
| InChIKey |
OQBWCCZDDTXQMZ-CTPYKZEGSA-N |
| Molecular Weight |
350.323 g/mol |
| SMILES |
[C@]1([C@@]2(OC([C@@]([C@]1(OC(=O)C)[H])(OC(=O)C=1C=CC=CC1)[H])OC2)[H])(OC(C)=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.976014 |
