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(.alpha.R)-2-(.alpha.-Methylbenzyl)amino-1,3-propyl di-4-nitrobenzoate
SpectraBase Compound ID 6n0b9XLPZlY
InChI InChI=1S/C25H23N3O8/c1-17(18-5-3-2-4-6-18)26-21(15-35-24(29)19-7-11-22(12-8-19)27(31)32)16-36-25(30)20-9-13-23(14-10-20)28(33)34/h2-14,17,21,26H,15-16H2,1H3/t17-/m1/s1
InChIKey GYYSVKYXQALEGN-QGZVFWFLSA-N
Mol Weight 493.47 g/mol
Molecular Formula C25H23N3O8
Exact Mass 493.148515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 86KcJcVPEhM
Name (.alpha.R)-2-(.alpha.-Methylbenzyl)amino-1,3-propyl di-4-nitrobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H23N3O8
InChI InChI=1S/C25H23N3O8/c1-17(18-5-3-2-4-6-18)26-21(15-35-24(29)19-7-11-22(12-8-19)27(31)32)16-36-25(30)20-9-13-23(14-10-20)28(33)34/h2-14,17,21,26H,15-16H2,1H3/t17-/m1/s1
InChIKey GYYSVKYXQALEGN-QGZVFWFLSA-N
Molecular Weight 493.472 g/mol
SMILES N(C(COC(c1ccc(N(=O)=O)cc1)=O)COC(c1ccc(N(=O)=O)cc1)=O)[C@@](c1ccccc1)(C)[H]
SPLASH splash10-0bvi-0809400000-3d3ea82fecac9721003b
Source of Spectrum KD-14-2158-3
Wiley ID 1636230