SpectraBase Spectrum ID |
2Wa9gJnJY6Y |
Name |
1-(Acetylmethyl)-1-vinylcyclododecane |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
250.229665585 u |
Formula |
C17H30O |
InChI |
InChI=1S/C17H30O/c1-3-17(15-16(2)18)13-11-9-7-5-4-6-8-10-12-14-17/h3H,1,4-15H2,2H3 |
InChIKey |
CTDREEQTCXSHJI-UHFFFAOYSA-N |
Molecular Weight |
250.426 g/mol |
SMILES |
C1(C=C)(CC(=O)C)CCCCCCCCCCC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929001 |