| SpectraBase Spectrum ID |
L3xGBZTOJz7 |
| Name |
D-Mannitol, 2,5-bis-o-(phenylmethyl)-, 1,6-bis(2,2-dimethylpropanoate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
530.287968304 u |
| Formula |
C30H42O8 |
| InChI |
InChI=1S/C30H42O8/c1-29(2,3)27(33)37-19-23(35-17-21-13-9-7-10-14-21)25(31)26(32)24(20-38-28(34)30(4,5)6)36-18-22-15-11-8-12-16-22/h7-16,23-26,31-32H,17-20H2,1-6H3/t23-,24-,25-,26-/m1/s1 |
| InChIKey |
RTOYWEATBVSLKD-VEYUFSJPSA-N |
| Molecular Weight |
530.658 g/mol |
| SMILES |
[C@@]([C@@]([C@](OCC=1C=CC=CC1)(COC(C(C)(C)C)=O)[H])(O)[H])([C@](OCC=1C=CC=CC1)(COC(C(C)(C)C)=O)[H])(O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974641 |
