SpectraBase Spectrum ID |
8zLgrhuZuyb |
Name |
(1R,14S)-13-Oxabicyclo[12.4.0]octadecan-12-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
266.224580204 u |
Formula |
C17H30O2 |
InChI |
InChI=1S/C17H30O2/c18-17-14-8-6-4-2-1-3-5-7-11-15-12-9-10-13-16(15)19-17/h15-16H,1-14H2/t15-,16+/m1/s1 |
InChIKey |
OTBAMRDQABUXNJ-CVEARBPZSA-N |
Molecular Weight |
266.425 g/mol |
SMILES |
C1(O[C@@]2([C@](CCCCCCCCCC1)(CCCC2)[H])[H])=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.836544 |