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8a-[(2,4-dimethyl-1-nitrilopent-2-yl)dioxy]tocopherone
SpectraBase Compound ID DMsUlOjKXGW
InChI InChI=1S/C36H61NO4/c1-25(2)15-12-16-27(5)17-13-18-28(6)19-14-21-34(10)22-20-32-30(8)33(38)29(7)31(9)36(32,39-34)41-40-35(11,24-37)23-26(3)4/h25-28H,12-23H2,1-11H3
InChIKey HCMZVOKNSIAKIC-UHFFFAOYSA-N
Mol Weight 571.9 g/mol
Molecular Formula C36H61NO4
Exact Mass 571.460059 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1KPjIcPp6n3
Name 8a-[(2,4-dimethyl-1-nitrilopent-2-yl)dioxy]tocopherone
CAS Registry Number 121250-10-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H61NO4
InChI InChI=1S/C36H61NO4/c1-25(2)15-12-16-27(5)17-13-18-28(6)19-14-21-34(10)22-20-32-30(8)33(38)29(7)31(9)36(32,39-34)41-40-35(11,24-37)23-26(3)4/h25-28H,12-23H2,1-11H3
InChIKey HCMZVOKNSIAKIC-UHFFFAOYSA-N
Molecular Weight 571.887 g/mol
SMILES C12(C(=C(C)C(C(=C2C)C)=O)CCC(O1)(CCCC(CCCC(CCCC(C)C)C)C)C)OOC(C#N)(CC(C)C)C
SPLASH splash10-0159-0710900000-22d33a533a996b5a3c59
Source of Spectrum C-112-7000-3
Synonyms 2,4-Dimethyl-2-{[2,5,7,8-tetramethyl-6-oxo-2-(4,8,12-trimethyltridecyl)-2,3,4,6-tetrahydro-8aH-chromen-8a-yl]peroxy}pentanenitrile
Wiley ID 1407801