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(3aR,7aR)-5-benzyl-3-(4-benzyloxybenzoyl)-octahydro-1-oxa-3,5-diaza-azulen-2-one
SpectraBase Compound ID 8aRJ7QTCgSr
InChI InChI=1S/C28H28N2O4/c31-27(23-13-15-24(16-14-23)33-20-22-10-5-2-6-11-22)30-25-19-29(18-21-8-3-1-4-9-21)17-7-12-26(25)34-28(30)32/h1-6,8-11,13-16,25-26H,7,12,17-20H2/t25-,26?/m1/s1
InChIKey BSHODLWZLFRPQR-DCWQJPKNSA-N
Mol Weight 456.54 g/mol
Molecular Formula C28H28N2O4
Exact Mass 456.204907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I7DZ3wzlKvx
Name (3aR,7aR)-5-benzyl-3-(4-benzyloxybenzoyl)-octahydro-1-oxa-3,5-diaza-azulen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H28N2O4
InChI InChI=1S/C28H28N2O4/c31-27(23-13-15-24(16-14-23)33-20-22-10-5-2-6-11-22)30-25-19-29(18-21-8-3-1-4-9-21)17-7-12-26(25)34-28(30)32/h1-6,8-11,13-16,25-26H,7,12,17-20H2/t25-,26?/m1/s1
InChIKey BSHODLWZLFRPQR-DCWQJPKNSA-N
Molecular Weight 456.542 g/mol
SMILES C1(N([C@]2(C(O1)CCCN(C2)Cc1ccccc1)[H])C(c1ccc(OCc2ccccc2)cc1)=O)=O
SPLASH splash10-01ox-9600000000-cc2a9868459cc1c1c5c6
Source of Spectrum F-65-218-14a
Wiley ID 1682146