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(1R,3aS,4R,7aR)-4-Ethoxy-1-(4-nitro-phenyl)-3-phenyl-1,3a,4,7a-tetrahydro-5-oxa-2,6-diaza-indene-7-carboxylic acid ethyl ester

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(1R,3aS,4R,7aR)-4-Ethoxy-1-(4-nitro-phenyl)-3-phenyl-1,3a,4,7a-tetrahydro-5-oxa-2,6-diaza-indene-7-carboxylic acid ethyl ester
SpectraBase Compound ID 3aRK046BCAY
InChI InChI=1S/C23H23N3O6/c1-3-30-22(27)21-17-18(23(31-4-2)32-25-21)20(14-8-6-5-7-9-14)24-19(17)15-10-12-16(13-11-15)26(28)29/h5-13,17-19,23H,3-4H2,1-2H3/t17-,18+,19+,23-/m1/s1
InChIKey XPTUUQZWSXYVHF-GKAYAJSDSA-N
Mol Weight 437.45 g/mol
Molecular Formula C23H23N3O6
Exact Mass 437.158685 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C7cccxrYAtt
Name (1R,3aS,4R,7aR)-4-Ethoxy-1-(4-nitro-phenyl)-3-phenyl-1,3a,4,7a-tetrahydro-5-oxa-2,6-diaza-indene-7-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H23N3O6
InChI InChI=1S/C23H23N3O6/c1-3-30-22(27)21-17-18(23(31-4-2)32-25-21)20(14-8-6-5-7-9-14)24-19(17)15-10-12-16(13-11-15)26(28)29/h5-13,17-19,23H,3-4H2,1-2H3/t17-,18+,19+,23-/m1/s1
InChIKey XPTUUQZWSXYVHF-GKAYAJSDSA-N
Molecular Weight 437.452 g/mol
SMILES [C@@]12([C@@](C(C(=O)OCC)=NO[C@]2(OCC)[H])([C@](c2ccc(N(=O)=O)cc2)(N=C1c1ccccc1)[H])[H])[H]
SPLASH splash10-0pvi-3910000000-68703271f8cf8a383a0c
Source of Spectrum F4-0-2080-13
Synonyms 1.beta.-exo-4-Ethoxy-7-ethoxycarbonyl-1-(4-nitrophenyl)-3-phenyl-1,3a,4,7a-tetrahydro-5-oxa-2,6-diazaindene Ethyl (1R,4aR,5R,7aS)-1-ethoxy-5-(4-nitrophenyl)-7-phenyl-1,4a,5,7a-tetrahydropyrrolo[3,4-d][1,2]oxazine-4-carboxylate
Wiley ID 1619962