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(2S,11S)-2,11-Diacetoxytridecane

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

(2S,11S)-2,11-Diacetoxytridecane
SpectraBase Compound ID B3d3PgWxWjP
InChI InChI=1S/C17H32O4/c1-5-17(21-16(4)19)13-11-9-7-6-8-10-12-14(2)20-15(3)18/h14,17H,5-13H2,1-4H3/t14-,17-/m0/s1
InChIKey IUVJQORBMDDZKM-YOEHRIQHSA-N
Mol Weight 300.4 g/mol
Molecular Formula C17H32O4
Exact Mass 300.23006 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Eyq51waFHVR
Name (2S,11S)-2,11-Diacetoxytridecane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 300.230059506 u
Formula C17H32O4
InChI InChI=1S/C17H32O4/c1-5-17(21-16(4)19)13-11-9-7-6-8-10-12-14(2)20-15(3)18/h14,17H,5-13H2,1-4H3/t14-,17-/m0/s1
InChIKey IUVJQORBMDDZKM-YOEHRIQHSA-N
SMILES C(=O)(O[C@@](CC)(CCCCCCCC[C@@](OC(=O)C)(C)[H])[H])C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.809061