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3'-(4-Cyanophenyl)-dispiro[(2",2"-dimethyl-1",3"-dioxan)-5,1'-cyclopropane-2',5''-(2,2-dimethyl-1,3-dioxan)]-4,4'',6,6''-tetrone

View entire compound with spectra: 1 MS (GC)

3'-(4-Cyanophenyl)-dispiro[(2",2"-dimethyl-1",3"-dioxan)-5,1'-cyclopropane-2',5''-(2,2-dimethyl-1,3-dioxan)]-4,4'',6,6''-tetrone
SpectraBase Compound ID 1ae6XCptJ6
InChI InChI=1S/C20H17NO8/c1-17(2)26-13(22)19(14(23)27-17)12(11-7-5-10(9-21)6-8-11)20(19)15(24)28-18(3,4)29-16(20)25/h5-8,12H,1-4H3
InChIKey PJHJVWSZZXBACY-UHFFFAOYSA-N
Mol Weight 399.36 g/mol
Molecular Formula C20H17NO8
Exact Mass 399.095417 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Asr7AfKv83j
Name 3'-(4-Cyanophenyl)-dispiro[(2",2"-dimethyl-1",3"-dioxan)-5,1'-cyclopropane-2',5''-(2,2-dimethyl-1,3-dioxan)]-4,4'',6,6''-tetrone
Appearance White crystalline solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17NO8
InChI InChI=1S/C20H17NO8/c1-17(2)26-13(22)19(14(23)27-17)12(11-7-5-10(9-21)6-8-11)20(19)15(24)28-18(3,4)29-16(20)25/h5-8,12H,1-4H3
InChIKey PJHJVWSZZXBACY-UHFFFAOYSA-N
Instrument Name Agilent Technology 5973 network
Ionization Type EI
Literature Reference DOI 10.1016/j.arabjc.2013.05.024
Molecular Weight 399.355 g/mol
SMILES CC1(C)OC(C2(C3(C(OC(C)(C)OC3=O)=O)C2c2ccc(cc2)C#N)C(O1)=O)=O
SPLASH splash10-05mo-7930000000-14ac388d21bbcdbd21da
Source of Spectrum AJC-10-SM38-3i
Wiley ID 1857152