| SpectraBase Spectrum ID |
HelyXu4hJyW |
| Name |
Xanthatin, 1'-acetoxy-3-methyl-3-demethylene-1',2'-dihydro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
308.162373868 u |
| Formula |
C17H24O5 |
| InChI |
InChI=1S/C17H24O5/c1-9-7-15-14(11(3)17(20)22-15)6-5-13(9)16(8-10(2)18)21-12(4)19/h5,9,11,14-16H,6-8H2,1-4H3 |
| InChIKey |
XXKCCBFCBFYRGB-UHFFFAOYSA-N |
| SMILES |
C1(CC2OC(=O)C(C2CC=C1C(CC(C)=O)OC(C)=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.910017 |
