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4,4-Dimethyl-2-(E)-normonyl-4,5-dihydro-oxazole
SpectraBase Compound ID Ho9Qzlt4PSi
InChI InChI=1S/C21H35NO6/c1-11(7-17-22-21(4,5)10-27-17)6-15-19(25)18(24)14(9-26-15)8-16-20(28-16)12(2)13(3)23/h7,12-16,18-20,23-25H,6,8-10H2,1-5H3/b11-7+
InChIKey BWAULGNYUXWEAY-YRNVUSSQSA-N
Mol Weight 397.5 g/mol
Molecular Formula C21H35NO6
Exact Mass 397.246438 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9evjgUOZqj6
Name 2H-Pyran-3,4-diol, 2-[3-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-2-methyl-2-propenyl]tetrahydro-5-[[3-(2-hydroxy-1-methylpropyl)oxiranyl]methyl]-, [2S-[2.alpha.(E),3.beta.,4.beta.,5.a lpha.[2R*,3R*(1R*,2R*)]]]-
CAS Registry Number 127994-46-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H35NO6
InChI InChI=1S/C21H35NO6/c1-11(7-17-22-21(4,5)10-27-17)6-15-19(25)18(24)14(9-26-15)8-16-20(28-16)12(2)13(3)23/h7,12-16,18-20,23-25H,6,8-10H2,1-5H3/b11-7+
InChIKey BWAULGNYUXWEAY-YRNVUSSQSA-N
Molecular Weight 397.512 g/mol
SMILES OC(C(C1OC1CC1COC(C(C1O)O)C\C(=C\C1=NC(C)(C)CO1)C)C)C
SPLASH splash10-0gvo-9800000000-dcde906c8b57efa09b61
Source of Spectrum KC-1989-2057-2
Synonyms 2-[(2E)-3-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-2-methylprop-2-en-1-yl]-5-{[3-(3-hydroxybutan-2-yl)oxiran-2-yl]methyl}oxane-3,4-diol 3-[5-(2,3-epoxy-5-hydroxy-4-methylhexyl)-3,4-dihydroxytetrahydropyran-2-yl]-2-methylprop-1(E)-en-1-yl-2-(4,4-dimethyl-4,5-dihydrooxazole) E-4,4-dimethyl-2-normonyl-4,5-dihydrooxazole
Wiley ID 1367963