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N-(4'-Methylbenzyl)canthadin-imide

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

N-(4'-Methylbenzyl)canthadin-imide
SpectraBase Compound ID Ig6w6ZsVros
InChI InChI=1S/C18H21NO3/c1-11-4-6-12(7-5-11)10-19-15(20)17(2)13-8-9-14(22-13)18(17,3)16(19)21/h4-7,13-14H,8-10H2,1-3H3/t13?,14?,17-,18+
InChIKey KTXCGAHPGOSXIG-MLXTZYFGSA-N
Mol Weight 299.37 g/mol
Molecular Formula C18H21NO3
Exact Mass 299.152144 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GDO5xlmUSp6
Name N-(4'-Methylbenzyl)canthadin-imide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 299.152143537 u
Formula C18H21NO3
InChI InChI=1S/C18H21NO3/c1-11-4-6-12(7-5-11)10-19-15(20)17(2)13-8-9-14(22-13)18(17,3)16(19)21/h4-7,13-14H,8-10H2,1-3H3/t13?,14?,17-,18+
InChIKey KTXCGAHPGOSXIG-MLXTZYFGSA-N
SMILES [C@@]12([C@@](C(=O)N(C2=O)CC2=CC=C(C=C2)C)(C2OC1CC2)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.961269