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mal N-(4-Chlorobenzyl)

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

mal N-(4-Chlorobenzyl)
SpectraBase Compound ID Kp14WOe4WHB
InChI InChI=1S/C21H26ClNO3/c1-15(2)14-26-21-19(24-3)11-17(12-20(21)25-4)9-10-23-13-16-5-7-18(22)8-6-16/h5-8,11-12,23H,1,9-10,13-14H2,2-4H3
InChIKey NJLHNPGGRYVNCD-UHFFFAOYSA-N
Mol Weight 375.9 g/mol
Molecular Formula C21H26ClNO3
Exact Mass 375.160121 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID I04vuERUCE2
Name mal N-(4-Chlorobenzyl)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 375.160121398 u
Formula C21H26ClNO3
InChI InChI=1S/C21H26ClNO3/c1-15(2)14-26-21-19(24-3)11-17(12-20(21)25-4)9-10-23-13-16-5-7-18(22)8-6-16/h5-8,11-12,23H,1,9-10,13-14H2,2-4H3
InChIKey NJLHNPGGRYVNCD-UHFFFAOYSA-N
Molecular Weight 375.896 g/mol
SMILES C1(=C(C=C(C=C1OC)CCNCC=1C=CC(=CC1)Cl)OC)OCC(=C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.899773