| SpectraBase Spectrum ID |
Gw78Bp87spH |
| Name |
Methyl 7-[2'-(2""""-methoxy-2""""-oxoethyl)-5'-oxocyclopentylidene]-heptanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
296.162373868 u |
| Formula |
C16H24O5 |
| InChI |
InChI=1S/C16H24O5/c1-20-15(18)8-6-4-3-5-7-13-12(9-10-14(13)17)11-16(19)21-2/h7,12H,3-6,8-11H2,1-2H3/b13-7- |
| InChIKey |
WEBILSWTCUHCSE-QPEQYQDCSA-N |
| SMILES |
C1(\C(C(CC1)=O)=C\CCCCCC(=O)OC)CC(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.840363 |
![Methyl 7-[2'-(2""""-methoxy-2""""-oxoethyl)-5'-oxocyclopentylidene]-heptanoate](/api/spectrum/Gw78Bp87spH/structure.png?h=300&w=458 "Methyl 7-[2'-(2\"\"\"\"-methoxy-2\"\"\"\"-oxoethyl)-5'-oxocyclopentylidene]-heptanoate")
