SpectraBase Spectrum ID |
A1wMocPd8uY |
Name |
(14R)-(+)-14-methyl-12-oxo-15-pentadecanolide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
268.203844759 u |
Formula |
C16H28O3 |
InChI |
InChI=1S/C16H28O3/c1-14-12-15(17)10-8-6-4-2-3-5-7-9-11-16(18)19-13-14/h14H,2-13H2,1H3/t14-/m1/s1 |
InChIKey |
OMEHFLCQTFHGJQ-CQSZACIVSA-N |
SMILES |
C1(OC[C@@](CC(=O)CCCCCCCCCC1)(C)[H])=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.985753 |