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2-Butylaniline, N-methoxycarbonyl-

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2-Butylaniline, N-methoxycarbonyl-
SpectraBase Compound ID Irb4OVHReCp
InChI InChI=1S/C12H17NO2/c1-3-4-7-10-8-5-6-9-11(10)13-12(14)15-2/h5-6,8-9H,3-4,7H2,1-2H3,(H,13,14)
InChIKey ORNRAHMHWXEFNA-UHFFFAOYSA-N
Mol Weight 207.27 g/mol
Molecular Formula C12H17NO2
Exact Mass 207.125929 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5fKaFWRBeJ2
Name 2-Butylaniline, N-methoxycarbonyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 207.125928789 u
Formula C12H17NO2
InChI InChI=1S/C12H17NO2/c1-3-4-7-10-8-5-6-9-11(10)13-12(14)15-2/h5-6,8-9H,3-4,7H2,1-2H3,(H,13,14)
InChIKey ORNRAHMHWXEFNA-UHFFFAOYSA-N
Molecular Weight 207.273 g/mol
SMILES C(CCC)C1=C(NC(OC)=O)C=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.844627