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5-(5,5-Dimethyl-1,3-dioxan-2-yl)-2-hydroxy-N,N-diisopropylbenzamide
SpectraBase Compound ID AjI0KIiTDVJ
InChI InChI=1S/C19H29NO4/c1-12(2)20(13(3)4)17(22)15-9-14(7-8-16(15)21)18-23-10-19(5,6)11-24-18/h7-9,12-13,18,21H,10-11H2,1-6H3
InChIKey USEDVMFHAVNLKN-UHFFFAOYSA-N
Mol Weight 335.44 g/mol
Molecular Formula C19H29NO4
Exact Mass 335.209658 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EDzcYEotQuc
Name 5-(5,5-Dimethyl-1,3-dioxan-2-yl)-2-hydroxy-N,N-diisopropylbenzamide
Appearance White solid
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Exact Mass 335.209658414 u
Formula C19H29NO4
InChI InChI=1S/C19H29NO4/c1-12(2)20(13(3)4)17(22)15-9-14(7-8-16(15)21)18-23-10-19(5,6)11-24-18/h7-9,12-13,18,21H,10-11H2,1-6H3
InChIKey USEDVMFHAVNLKN-UHFFFAOYSA-N
Instrument Name Shimadzu QP 1000 or HP 5890-5989B
Ionization Type EI
Literature Reference DOI 10.1002/chem.202201154
Molecular Weight 335.444 g/mol
Quality 98
Reported Formula C19H29NO4
SMILES OC=1C=CC(C2OCC(C)(CO2)C)=CC1C(=O)N(C(C)C)C(C)C
SPLASH splash10-000i-5192000000-ce2037f58ff1bf3faae3
Source of Spectrum QE-28-SM47-3q (DOI: 10.1002/chem.202201154)
Thin-Layer Chromatography 0.10 (Et2O/petroleum ether (1:1) + 0.5% Et3N)
Wiley ID 1900525