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3,3-Dimethyl-7-(2-morpholin-4-yl-5-nitro-phenyl)-2,4,8-trioxa-bicyclo[4.2.0]oct-1(6)-en-5-one
SpectraBase Compound ID 43TIPjdPLk6
InChI InChI=1S/C17H18N2O7/c1-17(2)25-15(20)13-14(24-16(13)26-17)11-9-10(19(21)22)3-4-12(11)18-5-7-23-8-6-18/h3-4,9,14H,5-8H2,1-2H3
InChIKey PMEGKRFOHMXKDT-UHFFFAOYSA-N
Mol Weight 362.34 g/mol
Molecular Formula C17H18N2O7
Exact Mass 362.111401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H3LZeBkmRcv
Name 3,3-Dimethyl-7-(2-morpholin-4-yl-5-nitro-phenyl)-2,4,8-trioxa-bicyclo[4.2.0]oct-1(6)-en-5-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18N2O7
InChI InChI=1S/C17H18N2O7/c1-17(2)25-15(20)13-14(24-16(13)26-17)11-9-10(19(21)22)3-4-12(11)18-5-7-23-8-6-18/h3-4,9,14H,5-8H2,1-2H3
InChIKey PMEGKRFOHMXKDT-UHFFFAOYSA-N
Molecular Weight 362.338 g/mol
SMILES C12=C(OC(OC2=O)(C)C)OC1c1c(N2CCOCC2)ccc(N(=O)=O)c1
SPLASH splash10-0ufr-4980000000-988b5e5a7a1415a5c7ba
Synonyms 4,4-Dimethyl-8-(2-morpholin-4-yl-5-nitro-phenyl)-3,5,7-trioxabicyclo[4.2.0]oct-1(6)-en-2-one 4,4-Dimethyl-8-(2-morpholino-5-nitro-phenyl)-3,5,7-trioxabicyclo[4.2.0]oct-1(6)-en-2-one 4,4-Dimethyl-8-[2-(4-morpholinyl)-5-nitrophenyl]-3,5,7-trioxabicyclo[4.2.0]oct-1(6)-en-2-one
Wiley ID 1465661