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1-(2-Hydroxyethoxy)caryolan-9.alpha.-ol
SpectraBase Compound ID LN8A0PpGoaI
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
Mol Weight 282.42 g/mol
Molecular Formula C17H30O3
Exact Mass 282.219495 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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