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2-(Dimethylamino)ethyl 4-(N-butylacetamido)benzoate

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

2-(Dimethylamino)ethyl 4-(N-butylacetamido)benzoate
SpectraBase Compound ID 8NpgBCXXpXm
InChI InChI=1S/C17H26N2O3/c1-5-6-11-19(14(2)20)16-9-7-15(8-10-16)17(21)22-13-12-18(3)4/h7-10H,5-6,11-13H2,1-4H3
InChIKey MJDWBSFEMSGKCQ-UHFFFAOYSA-N
Mol Weight 306.41 g/mol
Molecular Formula C17H26N2O3
Exact Mass 306.194343 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Ei0QCioN0oB
Name 2-(Dimethylamino)ethyl 4-(N-butylacetamido)benzoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 306.194342702 u
Formula C17H26N2O3
InChI InChI=1S/C17H26N2O3/c1-5-6-11-19(14(2)20)16-9-7-15(8-10-16)17(21)22-13-12-18(3)4/h7-10H,5-6,11-13H2,1-4H3
InChIKey MJDWBSFEMSGKCQ-UHFFFAOYSA-N
Molecular Weight 306.406 g/mol
SMILES C1=C(C=CC(=C1)N(CCCC)C(C)=O)C(OCCN(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.920796