| SpectraBase Spectrum ID |
G21CmDvIekj |
| Name |
cis-3-(Ethoxycarbonyl)-2-methyl-4-propyl-4-heptanolide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
256.167459249 u |
| Formula |
C14H24O4 |
| InChI |
InChI=1S/C14H24O4/c1-5-8-14(9-6-2)11(13(16)17-7-3)10(4)12(15)18-14/h10-11H,5-9H2,1-4H3/t10-,11-/m1/s1 |
| InChIKey |
MODFNDYXFLRDMC-GHMZBOCLSA-N |
| Molecular Weight |
256.342 g/mol |
| SMILES |
[C@@]1(C(OC([C@@]1(C)[H])=O)(CCC)CCC)(C(=O)OCC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.989389 |
