SpectraBase Spectrum ID |
4kwjJ4yy4eq |
Name |
1-(2-Hydroxyethoxy)caryolan-9.alpha.-ol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
282.219494823 u |
Formula |
C17H30O3 |
InChI |
InChI=1S/C17H30O3/c1-15(2)10-13-12(15)4-6-16(3)11-17(13,20-9-8-18)7-5-14(16)19/h12-14,18-19H,4-11H2,1-3H3/t12-,13+,14+,16-,17+/m1/s1 |
InChIKey |
PZLJNUJLTGNBDP-PYOKUCOHSA-N |
SMILES |
[C@]12([C@@]3([C@](CC[C@@](C2)(C)[C@](CC1)(O)[H])([H])C(C3)(C)C)[H])OCCO |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938655 |