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3',5'-di-Tert-butylbenzo-15-crown-5

View entire compound with spectra: 1 FTIR

3',5'-di-Tert-butylbenzo-15-crown-5
SpectraBase Compound ID BJOcUkaL9Vb
InChI InChI=1S/C22H36O5/c1-21(2,3)17-15-18(22(4,5)6)20-19(16-17)26-13-11-24-9-7-23-8-10-25-12-14-27-20/h15-16H,7-14H2,1-6H3
InChIKey GAYXBCYMVBNDOW-UHFFFAOYSA-N
Mol Weight 380.5 g/mol
Molecular Formula C22H36O5
Exact Mass 380.256274 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID A6gR0DoC1oz
Name 3',5'-di-Tert-butylbenzo-15-crown-5
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 380.256274254 u
Formula C22H36O5
InChI InChI=1S/C22H36O5/c1-21(2,3)17-15-18(22(4,5)6)20-19(16-17)26-13-11-24-9-7-23-8-10-25-12-14-27-20/h15-16H,7-14H2,1-6H3
InChIKey GAYXBCYMVBNDOW-UHFFFAOYSA-N
Molecular Weight 380.525 g/mol
SMILES CC(C)(C)C1=CC(C(C)(C)C)=CC2=C1OCCOCCOCCOCCO2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.953534