| SpectraBase Spectrum ID |
KJxpZ0xfOeG |
| Name |
Palmitic acid, monoester with L-ascorbic acid |
| 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+/m0/s1 |
| InChIKey |
QAQJMLQRFWZOBN-LAUBAEHRSA-N |
| Molecular Weight |
414.539 g/mol |
| SMILES |
OC1=C([C@](OC1=O)([C@](COC(CCCCCCCCCCCCCCC)=O)(O)[H])[H])O |
| Spectrum/Structure Validation Score (Raman) |
0.957176 |
