| SpectraBase Spectrum ID |
LKt6RADzpcN |
| Name |
.alpha.-Butylidene-.beta.-(ethoxycarbonyl)cyclopentanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
210.125594437 u |
| Formula |
C12H18O3 |
| InChI |
InChI=1S/C12H18O3/c1-3-5-6-9-10(7-8-11(9)13)12(14)15-4-2/h6,10H,3-5,7-8H2,1-2H3/b9-6+ |
| InChIKey |
BBYDNHZLPUSBIC-RMKNXTFCSA-N |
| Molecular Weight |
210.273 g/mol |
| SMILES |
C1(\C(C(CC1)=O)=C/CCC)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968923 |
