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13-Ethyl-2,3,6,7,10,13,17,20,21-nonamethyldocosane

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

13-Ethyl-2,3,6,7,10,13,17,20,21-nonamethyldocosane
SpectraBase Compound ID Hf5wcB0q19r
InChI InChI=1S/C33H68/c1-13-33(12,23-14-15-27(6)16-18-29(8)25(2)3)24-22-28(7)17-19-31(10)32(11)21-20-30(9)26(4)5/h25-32H,13-24H2,1-12H3
InChIKey IPOYIHFVRGSVFE-UHFFFAOYSA-N
Mol Weight 464.9 g/mol
Molecular Formula C33H68
Exact Mass 464.532102 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7nXUCMbBXkV
Name 13-Ethyl-2,3,6,7,10,13,17,20,21-nonamethyldocosane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 464.532102190 u
Formula C33H68
InChI InChI=1S/C33H68/c1-13-33(12,23-14-15-27(6)16-18-29(8)25(2)3)24-22-28(7)17-19-31(10)32(11)21-20-30(9)26(4)5/h25-32H,13-24H2,1-12H3
InChIKey IPOYIHFVRGSVFE-UHFFFAOYSA-N
Molecular Weight 464.907 g/mol
SMILES C(CC(C(C)C)C)C(C(CCC(CCC(CCCC(CCC(C(C)C)C)C)(CC)C)C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.886595