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2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridec-12-enyl)-3,4-dihydro-2H-1-benzopyran-6-ol

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2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridec-12-enyl)-3,4-dihydro-2H-1-benzopyran-6-ol
SpectraBase Compound ID 5aOUENKjlWK
InChI InChI=1S/C29H48O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h21-22,30H,1,9-19H2,2-8H3
InChIKey QAOOAZRWKHFUHK-UHFFFAOYSA-N
Mol Weight 428.7 g/mol
Molecular Formula C29H48O2
Exact Mass 428.365431 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JpgB8g4tM74
Name 2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridec-12-enyl)-3,4-dihydro-2H-1-benzopyran-6-ol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 428.365430784 u
Formula C29H48O2
InChI InChI=1S/C29H48O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h21-22,30H,1,9-19H2,2-8H3
InChIKey QAOOAZRWKHFUHK-UHFFFAOYSA-N
Molecular Weight 428.701 g/mol
SMILES C1=2C(=C(C)C(=C(C2C)C)O)CCC(O1)(CCCC(CCCC(CCCC(=C)C)C)C)C