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Acetic acid, trifluoro-, [2R-[2R*(4R*,8R*)]]-3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl ester

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Acetic acid, trifluoro-, [2R-[2R*(4R*,8R*)]]-3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl ester
SpectraBase Compound ID 9K0ckvoIC1r
InChI InChI=1S/C31H49F3O3/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-30(8)19-17-26-25(7)27(36-29(35)31(32,33)34)23(5)24(6)28(26)37-30/h20-22H,9-19H2,1-8H3/t21-,22-,30-/m1/s1
InChIKey WYAUJGNEMXZKRS-NPKFRGRUSA-N
Mol Weight 526.7 g/mol
Molecular Formula C31H49F3O3
Exact Mass 526.36338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4LzORvD3VWn
Name Acetic acid, trifluoro-, [2R-[2R*(4R*,8R*)]]-3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl ester
CAS Registry Number 56272-54-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H49F3O3
InChI InChI=1S/C31H49F3O3/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-30(8)19-17-26-25(7)27(36-29(35)31(32,33)34)23(5)24(6)28(26)37-30/h20-22H,9-19H2,1-8H3/t21-,22-,30-/m1/s1
InChIKey WYAUJGNEMXZKRS-NPKFRGRUSA-N
Molecular Weight 526.725 g/mol
SMILES c12c(c(C)c(c(c2C)C)OC(C(F)(F)F)=O)CC[C@](O1)(CCC[C@@](CCC[C@@](CCCC(C)C)(C)[H])(C)[H])C
SPLASH splash10-03fr-0092050000-f6d2810c84e5b8f47dd5
Source of Spectrum W-18-512-16
Synonyms (2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-yl trifluoroacetate .alpha.-tocopherol trifluoroacetate
Wiley ID 1402854