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1,4-Pentadien-3-ol, 1-[5-[4-[(2-methoxyethoxy)methoxy]-3-[[(2-methoxyethoxy)methoxy]methyl]-2-butenyl]-2,6,6-trimethyl-1-cyclohexen-1-yl]-3-methyl-
SpectraBase Compound ID T0XwullJOX
InChI InChI=1S/C28H48O7/c1-8-28(5,29)14-13-26-23(2)9-11-25(27(26,3)4)12-10-24(19-34-21-32-17-15-30-6)20-35-22-33-18-16-31-7/h8,10,13-14,25,29H,1,9,11-12,15-22H2,2-7H3/b14-13+
InChIKey FFFGDPPABPJJOD-BUHFOSPRSA-N
Mol Weight 496.7 g/mol
Molecular Formula C28H48O7
Exact Mass 496.340004 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CeURF2K38yu
Name 1,4-Pentadien-3-ol, 1-[5-[4-[(2-methoxyethoxy)methoxy]-3-[[(2-methoxyethoxy)methoxy]methyl]-2-butenyl]-2,6,6-trimethyl-1-cyclohexen-1-yl]-3-methyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 496.340003879 u
Formula C28H48O7
InChI InChI=1S/C28H48O7/c1-8-28(5,29)14-13-26-23(2)9-11-25(27(26,3)4)12-10-24(19-34-21-32-17-15-30-6)20-35-22-33-18-16-31-7/h8,10,13-14,25,29H,1,9,11-12,15-22H2,2-7H3/b14-13+
InChIKey FFFGDPPABPJJOD-BUHFOSPRSA-N
Molecular Weight 496.685 g/mol
SMILES C=1(C(C(CC=C(COCOCCOC)COCOCCOC)CCC1C)(C)C)\C=C\C(C=C)(O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.95437