| SpectraBase Spectrum ID |
2rNYklyRvre |
| Name |
Oxacyclohexadec-11-ene-2,5-dione, (Z)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.172544630 u |
| Formula |
C15H24O3 |
| InChI |
InChI=1S/C15H24O3/c16-14-10-8-6-4-2-1-3-5-7-9-13-18-15(17)12-11-14/h1,3H,2,4-13H2/b3-1- |
| InChIKey |
SSEHWYOOKBIUSG-IWQZZHSRSA-N |
| Molecular Weight |
252.354 g/mol |
| SMILES |
C1(OCCCC\C=C/CCCCCC(CC1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933631 |
