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Propanoic acid, 2,2-dimethyl-, 4-[[4-(dimethylamino)-2-(phenylsulfonyl)phenyl]amino]-2-methyl-6-[[methyl(4-nitrophenyl)amino]methyl]phenyl ester

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

Propanoic acid, 2,2-dimethyl-, 4-[[4-(dimethylamino)-2-(phenylsulfonyl)phenyl]amino]-2-methyl-6-[[methyl(4-nitrophenyl)amino]methyl]phenyl ester
SpectraBase Compound ID 1CHiVBTubJe
InChI InChI=1S/C34H38N4O6S/c1-23-19-25(35-30-18-17-28(36(5)6)21-31(30)45(42,43)29-11-9-8-10-12-29)20-24(32(23)44-33(39)34(2,3)4)22-37(7)26-13-15-27(16-14-26)38(40)41/h8-21,35H,22H2,1-7H3
InChIKey YVIFJJNXXPJDKM-UHFFFAOYSA-N
Mol Weight 630.8 g/mol
Molecular Formula C34H38N4O6S
Exact Mass 630.251206 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HqRBCZukT0j
Name Propanoic acid, 2,2-dimethyl-, 4-[[4-(dimethylamino)-2-(phenylsulfonyl)phenyl]amino]-2-methyl-6-[[methyl(4-nitrophenyl)amino]methyl]phenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 630.251206128 u
Formula C34H38N4O6S
InChI InChI=1S/C34H38N4O6S/c1-23-19-25(35-30-18-17-28(36(5)6)21-31(30)45(42,43)29-11-9-8-10-12-29)20-24(32(23)44-33(39)34(2,3)4)22-37(7)26-13-15-27(16-14-26)38(40)41/h8-21,35H,22H2,1-7H3
InChIKey YVIFJJNXXPJDKM-UHFFFAOYSA-N
Molecular Weight 630.760 g/mol
SMILES C=1(C=CC(=CC1)[N+]([O-])=O)N(CC=1C(=C(C=C(NC2=CC=C(N(C)C)C=C2S(=O)(=O)C2=CC=CC=C2)C1)C)OC(=O)C(C)(C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.905731