| SpectraBase Spectrum ID |
LDTuqy63ylV |
| Name |
(4E,6R,8R,10R)-4,6,810-Tetramethyltridec-4-en-3-one diasteromer |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
254.260965714 u |
| Formula |
C17H34O |
| InChI |
InChI=1S/C17H34O/c1-7-9-13(3)10-14(4)11-15(5)12-16(6)17(18)8-2/h12-15,17-18H,7-11H2,1-6H3/b16-12+/t13-,14-,15-,17?/m1/s1 |
| InChIKey |
LNSIAKDKGRHKLN-SWVXLYISSA-N |
| Molecular Weight |
254.458 g/mol |
| SMILES |
[C@@](\C=C\(C(O)CC)C)(C[C@@](C[C@@](CCC)(C)[H])(C)[H])(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924653 |
