| SpectraBase Spectrum ID |
J0trGxXH1Yg |
| Name |
4,8,12,16-Tetramethylheptadecane-1,4-diol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.334130655 u |
| Formula |
C21H44O2 |
| InChI |
InChI=1S/C21H44O2/c1-18(2)10-6-11-19(3)12-7-13-20(4)14-8-15-21(5,23)16-9-17-22/h18-20,22-23H,6-17H2,1-5H3 |
| InChIKey |
AQJDSMJUYBGCCV-UHFFFAOYSA-N |
| Molecular Weight |
328.581 g/mol |
| SMILES |
C(O)CCC(CCCC(CCCC(CCCC(C)C)C)C)(O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958505 |
