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(3R*,5S*,6R*)-3-Isopropyl-6-methyl-6-phenyl-5-(o-toluidino-1,2,4-trioxane
SpectraBase Compound ID IZGccFDZm6U
InChI InChI=1S/C20H25NO3/c1-14(2)18-22-19(21-17-13-9-8-10-15(17)3)20(4,24-23-18)16-11-6-5-7-12-16/h5-14,18-19,21H,1-4H3/t18-,19+,20-/m1/s1
InChIKey PZQVMCRXVGKVOA-HSALFYBXSA-N
Mol Weight 327.42 g/mol
Molecular Formula C20H25NO3
Exact Mass 327.183444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A6w7ATMwsJf
Name (3R*,5S*,6R*)-3-Isopropyl-6-methyl-6-phenyl-5-(o-toluidino-1,2,4-trioxane
Alternate Name(s) (3R,5S,6R)-3-isopropyl-6-methyl-N-(2-methylphenyl)-6-phenyl-1,2,4-trioxan-5-amine N-[(3R,5S,6R)-3-isopropyl-6-methyl-6-phenyl-1,2,4-trioxan-5-yl]-N-(2-methylphenyl)amine
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H25NO3
InChI InChI=1S/C20H25NO3/c1-14(2)18-22-19(21-17-13-9-8-10-15(17)3)20(4,24-23-18)16-11-6-5-7-12-16/h5-14,18-19,21H,1-4H3/t18-,19+,20-/m1/s1
InChIKey PZQVMCRXVGKVOA-HSALFYBXSA-N
Molecular Weight 327.424 g/mol
SMILES N([C@@]1([C@](OO[C@](C(C)C)(O1)[H])(c1ccccc1)C)[H])c1c(C)cccc1
SPLASH splash10-000i-0900000000-2f582ca9f89b0b9a265f
Source of Spectrum AJ-62-4052-7
Wiley ID 1325689