SpectraBase Spectrum ID |
3YtA7Qnb68j |
Name |
8-(non-2-Ynylidene)-1,4-dioxaspiro[4.5]decane |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
262.193280075 u |
Formula |
C17H26O2 |
InChI |
InChI=1S/C17H26O2/c1-2-3-4-5-6-7-8-9-16-10-12-17(13-11-16)18-14-15-19-17/h9H,2-6,10-15H2,1H3 |
InChIKey |
XCNONCOYORXPEQ-UHFFFAOYSA-N |
Molecular Weight |
262.393 g/mol |
SMILES |
C12(OCCO2)CCC(CC1)=CC#CCCCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.877551 |