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7-Methyltocol

View entire compound with spectra: 1 MS (GC)

7-Methyltocol
SpectraBase Compound ID 40IZagQZV3x
InChI InChI=1S/C27H46O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)23(5)18-26(24)29-27/h18-22,28H,7-17H2,1-6H3
InChIKey PZZKGQBMBVYPGR-UHFFFAOYSA-N
Mol Weight 402.7 g/mol
Molecular Formula C27H46O2
Exact Mass 402.349781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1mRSREh6502
Name 7-Methyltocol
Alternate Name(s) 2,7-Dimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-ol 2,7-Dimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol 2,7-Dimethyl-2-(4,8,12-trimethyltridecyl)chroman-6-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H46O2
InChI InChI=1S/C27H46O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)23(5)18-26(24)29-27/h18-22,28H,7-17H2,1-6H3
InChIKey PZZKGQBMBVYPGR-UHFFFAOYSA-N
Molecular Weight 402.663 g/mol
SMILES Oc1c(cc2OC(CCCC(CCCC(CCCC(C)C)C)C)(C)CCc2c1)C
SPLASH splash10-0udu-7900700000-df1dc9ac22057af03e22
Source of Spectrum KO-16-292-3
Wiley ID 1370699