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5a-((13)C)-5a,5a-Diphenyl-2,2,5,7,8-pentamethylchroman-6-ol
SpectraBase Compound ID 2KI7HRpY7QW
InChI InChI=1S/C26H28O2/c1-17-18(2)25-21(15-16-26(3,4)28-25)23(24(17)27)22(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,22,27H,15-16H2,1-4H3/i22+1
InChIKey RFVIPXCULADNSH-ZVDSADNZSA-N
Mol Weight 373.5 g/mol
Molecular Formula C2513CH28O2
Exact Mass 373.212285 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 39CvZJdmtkI
Name 5a-((13)C)-5a,5a-Diphenyl-2,2,5,7,8-pentamethylchroman-6-ol
Appearance Colorless crystals
Comments Original formula: C25[13C]H28O2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H28O2
InChI InChI=1S/C26H28O2/c1-17-18(2)25-21(15-16-26(3,4)28-25)23(24(17)27)22(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,22,27H,15-16H2,1-4H3/i22+1
InChIKey RFVIPXCULADNSH-ZVDSADNZSA-N
Instrument Name GC 6890N-5973B
Ionization Type EI
Literature Reference DOI 10.1002/open.202000306
Molecular Weight 373.500 g/mol
SMILES [13CH](c1c(c(c(c2c1CCC(O2)(C)C)C)C)O)(c1ccccc1)c1ccccc1
SPLASH splash10-00di-0169000000-dfe3b371d993b92654d6
Source of Spectrum CHO-10-428-9*
Thin-Layer Chromatography Rf = 0.58 (n-hexane/ethyl acetate, 5:1)
Wiley ID 1867957