| SpectraBase Spectrum ID |
KyVLzN0y7Ac |
| Name |
(12S,13S)-(+)-12-methyl-10-oxo-13-tetradecanolide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
254.188194694 u |
| Formula |
C15H26O3 |
| InChI |
InChI=1S/C15H26O3/c1-12-11-14(16)9-7-5-3-4-6-8-10-15(17)18-13(12)2/h12-13H,3-11H2,1-2H3/t12-,13+/m1/s1 |
| InChIKey |
DHQBHKDDDXAEAU-OLZOCXBDSA-N |
| Molecular Weight |
254.370 g/mol |
| SMILES |
C1(O[C@]([C@@](CC(CCCCCCCC1)=O)(C)[H])(C)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943444 |
