| SpectraBase Spectrum ID |
8wSqGH0j8Yd |
| Name |
3-Dotriacontanone, 9,11-dihydroxy-4-methyl-, [4R-(4R*,9R*,11R*)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
510.501195982 u |
| Formula |
C33H66O3 |
| InChI |
InChI=1S/C33H66O3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-31(34)29-32(35)28-25-24-26-30(3)33(36)5-2/h30-32,34-35H,4-29H2,1-3H3 |
| InChIKey |
LSASFXRIJLRCGG-UHFFFAOYSA-N |
| Molecular Weight |
510.888 g/mol |
| SMILES |
C(CC(CCCCCCCCCCCCCCCCCCCCC)O)(CCCCC(C(CC)=O)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934805 |
![3-Dotriacontanone, 9,11-dihydroxy-4-methyl-, [4R-(4R*,9R*,11R*)]-](/api/spectrum/8wSqGH0j8Yd/structure.png?h=300&w=458 "3-Dotriacontanone, 9,11-dihydroxy-4-methyl-, [4R-(4R*,9R*,11R*)]-")
