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6-(3-Methylbutyl)oxy-2,5,7,8-tetramethylchroman-2-carboxylic acid, 3-methylbutyl ester

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6-(3-Methylbutyl)oxy-2,5,7,8-tetramethylchroman-2-carboxylic acid, 3-methylbutyl ester
SpectraBase Compound ID Ao6BCYK5pes
InChI InChI=1S/C24H38O4/c1-15(2)10-13-26-21-17(5)18(6)22-20(19(21)7)9-12-24(8,28-22)23(25)27-14-11-16(3)4/h15-16H,9-14H2,1-8H3
InChIKey MRUBKBVVRDVESI-UHFFFAOYSA-N
Mol Weight 390.6 g/mol
Molecular Formula C24H38O4
Exact Mass 390.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CU8yAuAJrzQ
Name 6-(3-Methylbutyl)oxy-2,5,7,8-tetramethylchroman-2-carboxylic acid, 3-methylbutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 390.277009700 u
Formula C24H38O4
InChI InChI=1S/C24H38O4/c1-15(2)10-13-26-21-17(5)18(6)22-20(19(21)7)9-12-24(8,28-22)23(25)27-14-11-16(3)4/h15-16H,9-14H2,1-8H3
InChIKey MRUBKBVVRDVESI-UHFFFAOYSA-N
Molecular Weight 390.564 g/mol
SMILES CC1=C2OC(C)(CCC2=C(C(=C1C)OCCC(C)C)C)C(=O)OCCC(C)C