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(3R,4S)-3-{N-(Benzyloxycarbonyl)-(4",4"-diethoxybutyl)amino]-4'-[N'-(benzyloxycarbonyl)-1',2',5',6'-tetrahydropyridin-2'-yl]-butyraldehyde

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

(3R,4S)-3-{N-(Benzyloxycarbonyl)-(4",4"-diethoxybutyl)amino]-4'-[N'-(benzyloxycarbonyl)-1',2',5',6'-tetrahydropyridin-2'-yl]-butyraldehyde
SpectraBase Compound ID KW2abRrihan
InChI InChI=1S/C33H44N2O7/c1-3-39-31(40-4-2)19-13-22-35(33(38)42-26-28-16-9-6-10-17-28)30(20-23-36)24-29-18-11-12-21-34(29)32(37)41-25-27-14-7-5-8-15-27/h5-11,14-18,23,29-31H,3-4,12-13,19-22,24-26H2,1-2H3/t29-,30+/m1/s1
InChIKey ZGBCVBGPEHROOC-IHLOFXLRSA-N
Mol Weight 580.7 g/mol
Molecular Formula C33H44N2O7
Exact Mass 580.314852 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8RmZbFNXnPF
Name (3R,4S)-3-{N-(Benzyloxycarbonyl)-(4'',4''-diethoxybutyl)amino]-4'-[N'-(benzyloxycarbonyl)-1',2',5',6'-tetrahydropyridin-2'-yl]-butyraldehyde
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 580.314851758 u
Formula C33H44N2O7
InChI InChI=1S/C33H44N2O7/c1-3-39-31(40-4-2)19-13-22-35(33(38)42-26-28-16-9-6-10-17-28)30(20-23-36)24-29-18-11-12-21-34(29)32(37)41-25-27-14-7-5-8-15-27/h5-11,14-18,23,29-31H,3-4,12-13,19-22,24-26H2,1-2H3/t29-,30+/m1/s1
InChIKey ZGBCVBGPEHROOC-IHLOFXLRSA-N
Molecular Weight 580.722 g/mol
SMILES C(N1[C@@](C[C@@](N(C(OCC=2C=CC=CC2)=O)CCCC(OCC)OCC)(CC=O)[H])(C=CCC1)[H])(OCC1=CC=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.974906