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Sabinyl stearate

View entire compound with spectra: 1 NMR, and 1 FTIR

Sabinyl stearate
SpectraBase Compound ID B3DAtdB4Ktv
InChI InChI=1S/C28H50O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(29)30-26-22-28(23(2)3)21-25(28)24(26)4/h23,25-26H,4-22H2,1-3H3
InChIKey VPQBWZTYLJKGFB-UHFFFAOYSA-N
Mol Weight 418.7 g/mol
Molecular Formula C28H50O2
Exact Mass 418.381081 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ANxP9qlWCo
Name Sabinyl stearate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.381080848 u
Formula C28H50O2
InChI InChI=1S/C28H50O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(29)30-26-22-28(23(2)3)21-25(28)24(26)4/h23,25-26H,4-22H2,1-3H3
InChIKey VPQBWZTYLJKGFB-UHFFFAOYSA-N
Molecular Weight 418.706 g/mol
SMILES C(CCCCCCCCCCCCCCCCC)(=O)OC1CC2(CC2C1=C)C(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.850938