| SpectraBase Spectrum ID |
Ly7rpdysLj6 |
| Name |
3,7-Dimethyl-1,6-nonadecanediol |
| 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/c1-4-5-6-7-8-9-10-11-12-13-14-20(3)21(23)16-15-19(2)17-18-22/h19-23H,4-18H2,1-3H3/t19-,20?,21?/m0/s1 |
| InChIKey |
HXSXTUZOIUJUJV-MWXLCCTBSA-N |
| Molecular Weight |
328.581 g/mol |
| SMILES |
C(O)(CC[C@@](CCO)(C)[H])C(CCCCCCCCCCCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926647 |
