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Decanyl-11-hydroxy tritriacontanoate

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

Decanyl-11-hydroxy tritriacontanoate
SpectraBase Compound ID 4ekjpU7A3Vb
InChI InChI=1S/C43H86O3/c1-3-5-7-9-11-26-30-34-38-42(44)39-35-31-27-24-22-20-18-16-14-13-15-17-19-21-23-25-28-32-36-40-43(45)46-41-37-33-29-12-10-8-6-4-2/h42,44H,3-41H2,1-2H3
InChIKey QTKBUGPZQRXMLX-UHFFFAOYSA-N
Mol Weight 651.2 g/mol
Molecular Formula C43H86O3
Exact Mass 650.657697 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BMQ2v0fc54W
Name Decanyl-11-hydroxy tritriacontanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 650.657696626 u
Formula C43H86O3
InChI InChI=1S/C43H86O3/c1-3-5-7-9-11-26-30-34-38-42(44)39-35-31-27-24-22-20-18-16-14-13-15-17-19-21-23-25-28-32-36-40-43(45)46-41-37-33-29-12-10-8-6-4-2/h42,44H,3-41H2,1-2H3
InChIKey QTKBUGPZQRXMLX-UHFFFAOYSA-N
SMILES C(CCC(=O)OCCCCCCCCCC)CCCCCCCCCCCCCCCCCCC(CCCCCCCCCC)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.859929