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(3aR*,11S*,11aS*)-11-(4-Methoxyphenyl)-3,3a,11,11a-tetrahydro-1H-furo[3',4':4,5]pyrimido[2,1-b][1,3]benzpxazole-3-one
SpectraBase Compound ID 4MUOhXoDgLa
InChI InChI=1S/C19H16N2O4/c1-23-12-8-6-11(7-9-12)17-13-10-24-18(22)16(13)20-19-21(17)14-4-2-3-5-15(14)25-19/h2-9,13,16-17H,10H2,1H3/t13-,16-,17-/m1/s1
InChIKey BFCIRQYLEKBBLF-KBRIMQKVSA-N
Mol Weight 336.35 g/mol
Molecular Formula C19H16N2O4
Exact Mass 336.111007 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2VRP0RnvQ6W
Name (3aR*,11S*,11aS*)-11-(4-Methoxyphenyl)-3,3a,11,11a-tetrahydro-1H-furo[3',4':4,5]pyrimido[2,1-b][1,3]benzpxazole-3-one
Alternate Name(s) (3aR*,11S*,11aS*)-11-(4-Methoxyphenyl)-3,3a,11,11a-tetrahydro-1H-furo[3',4':4,5]pyrimido[2,1-b][1,3]benzoxazole-3-one (3aR,4R,10aS)-4-(4-Methoxy-phenyl)-3a,10a-dihydro-3H,4H-2,9-dioxa-4a,10-diaza-cyclopenta[b]fluoren-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16N2O4
InChI InChI=1S/C19H16N2O4/c1-23-12-8-6-11(7-9-12)17-13-10-24-18(22)16(13)20-19-21(17)14-4-2-3-5-15(14)25-19/h2-9,13,16-17H,10H2,1H3/t13-,16-,17-/m1/s1
InChIKey BFCIRQYLEKBBLF-KBRIMQKVSA-N
Molecular Weight 336.347 g/mol
SMILES C=12N([C@](c3ccc(cc3)OC)([C@]3([C@@](N1)(C(OC3)=O)[H])[H])[H])c1ccccc1O2
SPLASH splash10-002u-0697000000-64450d3e4b73e9a6d270
Source of Spectrum KC-0-3395-16
Wiley ID 826678