| SpectraBase Spectrum ID |
AkAdeqUugqT |
| Name |
Trans-cyclohexanespiro-4'-[3'-(ethoxycarbonyl)-2'-methyl-4'-butanolide] |
| 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/c1-3-16-12(15)10-9(2)11(14)17-13(10)7-5-4-6-8-13/h9-10H,3-8H2,1-2H3/t9-,10+/m1/s1 |
| InChIKey |
UIWGKEYWUSTOIE-ZJUUUORDSA-N |
| Molecular Weight |
240.299 g/mol |
| SMILES |
[C@]1(C2(OC([C@@]1(C)[H])=O)CCCCC2)(C(=O)OCC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.808908 |
![Trans-cyclohexanespiro-4'-[3'-(ethoxycarbonyl)-2'-methyl-4'-butanolide]](/api/spectrum/AkAdeqUugqT/structure.png?h=300&w=458 "Trans-cyclohexanespiro-4'-[3'-(ethoxycarbonyl)-2'-methyl-4'-butanolide]")
