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(11S)-Eudesmane-3.alpha.,13-diol

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

(11S)-Eudesmane-3.alpha.,13-diol
SpectraBase Compound ID ALEl0xnOkSZ
InChI InChI=1S/C15H28O2/c1-10(9-16)12-4-6-15(3)7-5-14(17)11(2)13(15)8-12/h10-14,16-17H,4-9H2,1-3H3/t10-,11-,12?,13-,14-,15+/m1/s1
InChIKey ARSHJAOOWKIGRS-XCEHFQTNSA-N
Mol Weight 240.39 g/mol
Molecular Formula C15H28O2
Exact Mass 240.20893 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3RjEiTYErHJ
Name (11S)-Eudesmane-3.alpha.,13-diol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 240.208930140 u
Formula C15H28O2
InChI InChI=1S/C15H28O2/c1-10(9-16)12-4-6-15(3)7-5-14(17)11(2)13(15)8-12/h10-14,16-17H,4-9H2,1-3H3/t10-,11-,12?,13-,14-,15+/m1/s1
InChIKey ARSHJAOOWKIGRS-XCEHFQTNSA-N
Molecular Weight 240.387 g/mol
SMILES [C@@]12([C@@](CCC(C2)[C@@](CO)(C)[H])(CC[C@]([C@@]1(C)[H])(O)[H])C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.923513