| SpectraBase Spectrum ID |
FTnfhaoagWM |
| Name |
cis-3-(Ethoxycarbonyl)-2-ethyl-4-butanolide-4-spirocyclopentane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
240.136159120 u |
| Formula |
C13H20O4 |
| InChI |
InChI=1S/C13H20O4/c1-3-9-10(12(15)16-4-2)13(17-11(9)14)7-5-6-8-13/h9-10H,3-8H2,1-2H3/t9-,10-/m0/s1 |
| InChIKey |
NXWWCNYIRVTINK-UWVGGRQHSA-N |
| Molecular Weight |
240.299 g/mol |
| SMILES |
[C@]1(C2(OC([C@]1(CC)[H])=O)CCCC2)(C(=O)OCC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.859883 |
