| SpectraBase Spectrum ID |
I0JebLCq9Gw |
| Name |
(1S,2S)-1-(3,3-Dimethylcycloprop-1-enyl)-3-(4-methoxybenzyloxy)-2-methylpropan-1-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
276.172544630 u |
| Formula |
C17H24O3 |
| InChI |
InChI=1S/C17H24O3/c1-12(16(18)15-9-17(15,2)3)10-20-11-13-5-7-14(19-4)8-6-13/h5-9,12,16,18H,10-11H2,1-4H3/t12-,16-/m0/s1 |
| InChIKey |
ONKFBDSXRFRIPW-LRDDRELGSA-N |
| SMILES |
C1(C)(C)C([C@@](O)([C@@](C)(COCC2=CC=C(C=C2)OC)[H])[H])=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945361 |
