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1,3-Dilaurin

View entire compound with spectra: 1 NMR, 2 FTIR, and 1 Raman

1,3-Dilaurin
SpectraBase Compound ID IcdWrWlk3eH
InChI InChI=1S/C27H52O5/c1-3-5-7-9-11-13-15-17-19-21-26(29)31-23-25(28)24-32-27(30)22-20-18-16-14-12-10-8-6-4-2/h25,28H,3-24H2,1-2H3
InChIKey KUVAEMGNHJQSMH-UHFFFAOYSA-N
Mol Weight 456.7 g/mol
Molecular Formula C27H52O5
Exact Mass 456.381475 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 2U0VyfzqBms
Name 1,3-Dilaurin
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 456.381474769 u
Formula C27H52O5
InChI InChI=1S/C27H52O5/c1-3-5-7-9-11-13-15-17-19-21-26(29)31-23-25(28)24-32-27(30)22-20-18-16-14-12-10-8-6-4-2/h25,28H,3-24H2,1-2H3
InChIKey KUVAEMGNHJQSMH-UHFFFAOYSA-N
Molecular Weight 456.708 g/mol
SMILES OC(COC(CCCCCCCCCCC)=O)COC(CCCCCCCCCCC)=O
Spectrum/Structure Validation Score (Raman) 0.985795