| SpectraBase Spectrum ID |
9xEUZnEoOUL |
| Name |
(1S,2R,3E,5E)-1-(4,4-Dimethyl-2-oxazolin-2-yl)-2,4-dimethyl-hepta-3,5-dien-1-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
237.172878983 u |
| Formula |
C14H23NO2 |
| InChI |
InChI=1S/C14H23NO2/c1-6-7-10(2)8-11(3)12(16)13-15-14(4,5)9-17-13/h6-8,11-12,16H,9H2,1-5H3/b7-6+,10-8+/t11-,12+/m1/s1 |
| InChIKey |
CPIKZFBFXJCAMK-IFVJCMHWSA-N |
| Molecular Weight |
237.343 g/mol |
| SMILES |
C1(=NC(C)(C)CO1)[C@]([C@@](\C=C\(\C=C\C)C)(C)[H])(O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957355 |
