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Endogenous (Vitamin E)
SpectraBase Compound ID JNI4ggQ7hD0
InChI InChI=1S/C29H50O2/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/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m1/s1
InChIKey GVJHHUAWPYXKBD-IEOSBIPESA-N
Mol Weight 430.7 g/mol
Molecular Formula C29H50O2
Exact Mass 430.381081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3nFKrSztstg
Name Endogenous (Vitamin E)
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved.
Formula C29H50O2
InChI InChI=1S/C29H50O2/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/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m1/s1
InChIKey GVJHHUAWPYXKBD-IEOSBIPESA-N
SMILES Oc1c(c(c2O[C@@](CCc2c1C)(CCC[C@@](CCC[C@@](CCCC(C)C)(C)[H])(C)[H])C)C)C
SPLASH splash10-0159-0900500000-bda7e21c6b254f30db16
Source of Spectrum Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences