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(1alpha,4alpha,4aalpha,5beta,8beta,8aalpha)4a,5,6,7,8,8a-Hexahydro-11-oxo-1-phenyl-4,1-(epoxymethano)-5,8-methanophthalazin-4(1H)-carboxylic acid methyl ester

View entire compound with spectra: 1 MS (GC)

(1alpha,4alpha,4aalpha,5beta,8beta,8aalpha)4a,5,6,7,8,8a-Hexahydro-11-oxo-1-phenyl-4,1-(epoxymethano)-5,8-methanophthalazin-4(1H)-carboxylic acid methyl ester
SpectraBase Compound ID GB36uTTqHzM
InChI InChI=1S/C18H18N2O4/c1-23-16(22)18-14-11-8-7-10(9-11)13(14)17(19-20-18,15(21)24-18)12-5-3-2-4-6-12/h2-6,10-11,13-14H,7-9H2,1H3/t10-,11-,13-,14+,17-,18-/m1/s1
InChIKey HNETYZVKADGFRS-WMNMVIBSSA-N
Mol Weight 326.35 g/mol
Molecular Formula C18H18N2O4
Exact Mass 326.126657 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EOjJXAZtTAN
Name (1alpha,4alpha,4aalpha,5beta,8beta,8aalpha)4a,5,6,7,8,8a-Hexahydro-11-oxo-1-phenyl-4,1-(epoxymethano)-5,8-methanophthalazin-4(1H)-carboxylic acid methyl ester
Alternate Name(s) Methyl (1R,4S,4aR,5R,8R,8aS)-3-oxo-4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-1H-1,4-epidiazeno-5,8-methanoisochromene-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18N2O4
InChI InChI=1S/C18H18N2O4/c1-23-16(22)18-14-11-8-7-10(9-11)13(14)17(19-20-18,15(21)24-18)12-5-3-2-4-6-12/h2-6,10-11,13-14H,7-9H2,1H3/t10-,11-,13-,14+,17-,18-/m1/s1
InChIKey HNETYZVKADGFRS-WMNMVIBSSA-N
Literature Reference DOI 10.1002/cber.19901231014
Molecular Weight 326.352 g/mol
SMILES C1C[C@@]2(C[C@@]1([C@@]1([C@@]3(OC([C@@]([C@]21[H])(N=N3)c1ccccc1)=O)C(=O)OC)[H])[H])[H]
SPLASH splash10-014l-7930000000-d59b85d417ac5ffc10bb
Source of Spectrum K-123-2035-8
Wiley ID 1794572