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2,2,5,7,8-Pentamethyl-6-hydroxychroman, N-butyl ether

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2,2,5,7,8-Pentamethyl-6-hydroxychroman, N-butyl ether
SpectraBase Compound ID KJ30FtVkE7U
InChI InChI=1S/C18H28O2/c1-7-8-11-19-16-12(2)13(3)17-15(14(16)4)9-10-18(5,6)20-17/h7-11H2,1-6H3
InChIKey NCAPACUSPUJKOZ-UHFFFAOYSA-N
Mol Weight 276.42 g/mol
Molecular Formula C18H28O2
Exact Mass 276.20893 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FT7odUCgAVE
Name 2,2,5,7,8-Pentamethyl-6-hydroxychroman, N-butyl ether
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 276.208930140 u
Formula C18H28O2
InChI InChI=1S/C18H28O2/c1-7-8-11-19-16-12(2)13(3)17-15(14(16)4)9-10-18(5,6)20-17/h7-11H2,1-6H3
InChIKey NCAPACUSPUJKOZ-UHFFFAOYSA-N
Molecular Weight 276.420 g/mol
SMILES C12=C(C(=C(C(=C2OC(CC1)(C)C)C)C)OCCCC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.894866