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Ethyl 2-(2-(3-oxo-2,3-dihydrobenzo[f][1,4]oxazepin-4(5H)-yl)-2-(3,4,5-trimethoxyphenyl)acetamido)acetate
SpectraBase Compound ID A2gY4S7FhIW
InChI InChI=1S/C24H28N2O8/c1-5-33-21(28)12-25-24(29)22(16-10-18(30-2)23(32-4)19(11-16)31-3)26-13-15-8-6-7-9-17(15)34-14-20(26)27/h6-11,22H,5,12-14H2,1-4H3,(H,25,29)
InChIKey AJFKULZHVITDHZ-UHFFFAOYSA-N
Mol Weight 472.49 g/mol
Molecular Formula C24H28N2O8
Exact Mass 472.184566 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GA3xfsqEZ6H
Name Ethyl 2-(2-(3-oxo-2,3-dihydrobenzo[f][1,4]oxazepin-4(5H)-yl)-2-(3,4,5-trimethoxyphenyl)acetamido)acetate
Appearance White solid
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Formula C24H28N2O8
InChI InChI=1S/C24H28N2O8/c1-5-33-21(28)12-25-24(29)22(16-10-18(30-2)23(32-4)19(11-16)31-3)26-13-15-8-6-7-9-17(15)34-14-20(26)27/h6-11,22H,5,12-14H2,1-4H3,(H,25,29)
InChIKey AJFKULZHVITDHZ-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.10.16
Molecular Weight 472.494 g/mol
Reported Formula C24H28N2O8
SMILES N(C(C(N1Cc2c(cccc2)OCC1=O)c1cc(c(c(c1)OC)OC)OC)=O)CC(=O)OCC
SPLASH splash10-03di-0090000000-1842b660a5c6222ad613
Source of Spectrum BJO-10-SM7-10d
Thin-Layer Chromatography Rf = 0.38 (PE/AcOEt, 34:66)
Wiley ID 1853896