| SpectraBase Spectrum ID |
IJljVF6odzv |
| Name |
D-Isoascorbyl-palmitate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
414.261753557 u |
| Formula |
C22H38O7 |
| InChI |
InChI=1S/C22H38O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(24)28-16-17(23)21-19(25)20(26)22(27)29-21/h17,21,23,25-26H,2-16H2,1H3/t17-,21-/m1/s1 |
| InChIKey |
QAQJMLQRFWZOBN-DYESRHJHSA-N |
| Molecular Weight |
414.539 g/mol |
| SMILES |
C1(=O)C(O)=C(O)[C@](O1)([C@](O)(COC(=O)CCCCCCCCCCCCCCC)[H])[H] |
| Spectrum/Structure Validation Score (Raman) |
0.958121 |
