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N-Butyl .gamma.-hydroxystearate

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

N-Butyl .gamma.-hydroxystearate
SpectraBase Compound ID IHDuxq2Hewt
InChI InChI=1S/C23H46O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-22(24)19-20-23(25)26-21-6-4-2/h22,24H,3-21H2,1-2H3
InChIKey OXXRZYFONZDUNZ-UHFFFAOYSA-N
Mol Weight 370.6 g/mol
Molecular Formula C23H46O3
Exact Mass 370.344695 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AsdwM1ztyJI
Name N-Butyl .gamma.-hydroxystearate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 370.344695338 u
Formula C23H46O3
InChI InChI=1S/C23H46O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-22(24)19-20-23(25)26-21-6-4-2/h22,24H,3-21H2,1-2H3
InChIKey OXXRZYFONZDUNZ-UHFFFAOYSA-N
Molecular Weight 370.618 g/mol
SMILES CCCCCCCCCCCCCCCC(CCC(OCCCC)=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.865053