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(2aR,3aR,7aS)-1-(4-Methoxy-phenyl)-2a,3,3a,4,7,7a-hexahydro-1H-5-oxa-1,6-diaza-cyclobuta[f]inden-2-one
SpectraBase Compound ID 91J3J8U677o
InChI InChI=1S/C15H16N2O3/c1-19-11-4-2-10(3-5-11)17-14-7-13-9(8-20-16-13)6-12(14)15(17)18/h2-5,9,12,14H,6-8H2,1H3/t9-,12+,14-/m0/s1
InChIKey PNMOGBKXJLITQY-BHYNMZESSA-N
Mol Weight 272.3 g/mol
Molecular Formula C15H16N2O3
Exact Mass 272.116092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EosYGB4tv6o
Name (2aR,3aR,7aS)-1-(4-Methoxy-phenyl)-2a,3,3a,4,7,7a-hexahydro-1H-5-oxa-1,6-diaza-cyclobuta[f]inden-2-one
Appearance White solid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16N2O3
InChI InChI=1S/C15H16N2O3/c1-19-11-4-2-10(3-5-11)17-14-7-13-9(8-20-16-13)6-12(14)15(17)18/h2-5,9,12,14H,6-8H2,1H3/t9-,12+,14-/m0/s1
InChIKey PNMOGBKXJLITQY-BHYNMZESSA-N
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0005.416
Molecular Weight 272.304 g/mol
SMILES [C@@]12([C@@](N(C2=O)c2ccc(cc2)OC)(CC=2[C@@](C1)(CON2)[H])[H])[H]
SPLASH splash10-00dj-0960000000-9b230585737ba4010564
Source of Spectrum ARK-2004-150-rac-10c
Wiley ID 1875978