| SpectraBase Spectrum ID |
7cuOp8ax0cM |
| Name |
Pentaerythritol, tetrastearate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
1018.913970880 u |
| Formula |
C64H122O8 |
| InChI |
InChI=1S/C64H122O8/c1-5-9-13-16-19-22-25-28-31-34-37-40-43-46-49-53-61(66)70-57-64(56-69-60(65)52-12-8-4,58-71-62(67)54-50-47-44-41-38-35-32-29-26-23-20-17-14-10-6-2)59-72-63(68)55-51-48-45-42-39-36-33-30-27-24-21-18-15-11-7-3/h5-59H2,1-4H3 |
| InChIKey |
KWRVPILKHZNYPO-UHFFFAOYSA-N |
| Molecular Weight |
1019.672 g/mol |
| Nominal Mass |
1018 u |
| SMILES |
C(CC)CCCCCCCCCCCCCCC(OCC(COC(CCCCCCCCCCCCCCCCC)=O)(COC(CCCC)=O)COC(=O)CCCCCCCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Raman) |
0.990243 |
