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2,2-dimethyl-5-((4aS,8aS)-3-phenyl-4a,5,6,7,8,8a-hexahydroquinoxalin-2(1H)-ylidene)-1,3-dioxane-4,6-dione
SpectraBase Compound ID 1PgjJuW7fez
InChI InChI=1S/C20H22N2O4/c1-20(2)25-18(23)15(19(24)26-20)17-16(12-8-4-3-5-9-12)21-13-10-6-7-11-14(13)22-17/h3-5,8-9,13-14,22H,6-7,10-11H2,1-2H3/t13-,14-/m0/s1
InChIKey JCFOWUYDFCIJCT-KBPBESRZSA-N
Mol Weight 354.41 g/mol
Molecular Formula C20H22N2O4
Exact Mass 354.157957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1zqX3tV4VM
Name 2,2-dimethyl-5-((4aS,8aS)-3-phenyl-4a,5,6,7,8,8a-hexahydroquinoxalin-2(1H)-ylidene)-1,3-dioxane-4,6-dione
Appearance Yellow solid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22N2O4
InChI InChI=1S/C20H22N2O4/c1-20(2)25-18(23)15(19(24)26-20)17-16(12-8-4-3-5-9-12)21-13-10-6-7-11-14(13)22-17/h3-5,8-9,13-14,22H,6-7,10-11H2,1-2H3/t13-,14-/m0/s1
InChIKey JCFOWUYDFCIJCT-KBPBESRZSA-N
Instrument Name Agilent 5975C VL MSD
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3834
Molecular Weight 354.406 g/mol
SMILES N1[C@@]2([C@@](N=C(C1=C1C(=O)OC(OC1=O)(C)C)c1ccccc1)(CCCC2)[H])[H]
SPLASH splash10-0udj-5291000000-465449f8b324e86eb980
Source of Spectrum Y-57-SM53-6i
Wiley ID 1860050