| SpectraBase Spectrum ID |
5iMR9d4trU6 |
| Name |
Ethyl (1sr,3asr,5rs,7asr)-7A-(2-cyanoethyl)octahydro-5-methyl-2-methylene-7-oxo-1H-indene-1-acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
303.183443666 u |
| Formula |
C18H25NO3 |
| InChI |
InChI=1S/C18H25NO3/c1-4-22-17(21)11-15-13(3)10-14-8-12(2)9-16(20)18(14,15)6-5-7-19/h12,14-15H,3-6,8-11H2,1-2H3 |
| InChIKey |
UGDDGYMPENSLEA-UHFFFAOYSA-N |
| SMILES |
C12(C(C(=C)CC2CC(C)CC1=O)CC(=O)OCC)CCC#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.881548 |
