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(4S,5S)-Undec-1-en-6-yne-4,5-diol

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

(4S,5S)-Undec-1-en-6-yne-4,5-diol
SpectraBase Compound ID 6v4NPvMprdp
InChI InChI=1S/C11H18O2/c1-3-5-6-7-9-11(13)10(12)8-4-2/h4,10-13H,2-3,5-6,8H2,1H3/t10-,11-/m0/s1
InChIKey MRPGBJDMVLDERE-QWRGUYRKSA-N
Mol Weight 182.26 g/mol
Molecular Formula C11H18O2
Exact Mass 182.13068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2z7wNfqR6mc
Name (4S,5S)-Undec-1-en-6-yne-4,5-diol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 182.130679818 u
Formula C11H18O2
InChI InChI=1S/C11H18O2/c1-3-5-6-7-9-11(13)10(12)8-4-2/h4,10-13H,2-3,5-6,8H2,1H3/t10-,11-/m0/s1
InChIKey MRPGBJDMVLDERE-QWRGUYRKSA-N
Molecular Weight 182.263 g/mol
SMILES C(#CCCCC)[C@@]([C@@](O)(CC=C)[H])(O)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.937228