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Carbonic acid, monoamide, N-benzyl-N-butyl-, methyl ester

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Carbonic acid, monoamide, N-benzyl-N-butyl-, methyl ester
SpectraBase Compound ID 209PTpXBUub
InChI InChI=1S/C13H19NO2/c1-3-4-10-14(13(15)16-2)11-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChIKey VVEBQHWUEFDLDC-UHFFFAOYSA-N
Mol Weight 221.3 g/mol
Molecular Formula C13H19NO2
Exact Mass 221.141579 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 68jjMxuBj7x
Name Carbonic acid, monoamide, N-benzyl-N-butyl-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 221.141578854 u
Formula C13H19NO2
InChI InChI=1S/C13H19NO2/c1-3-4-10-14(13(15)16-2)11-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChIKey VVEBQHWUEFDLDC-UHFFFAOYSA-N
Molecular Weight 221.300 g/mol
SMILES COC(=O)N(CCCC)CC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.901609