| SpectraBase Spectrum ID |
1BeEQVHCwtp |
| Name |
Conifegrol, acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
358.214409442 u |
| Formula |
C22H30O4 |
| InChI |
InChI=1S/C22H30O4/c1-17(2)8-6-9-18(3)13-15-26-21-12-11-20(16-22(21)24-5)10-7-14-25-19(4)23/h7-8,10-13,16H,6,9,14-15H2,1-5H3/b10-7+,18-13+ |
| InChIKey |
UAQANHDDMSNOAN-CVUDBVLYSA-N |
| Molecular Weight |
358.478 g/mol |
| SMILES |
C1(=C(C=CC(=C1)\C=C\COC(=O)C)OC\C=C\(CCC=C(C)C)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950347 |
