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2-Tert-butylaniline, N-ethoxycarbonyl-

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2-Tert-butylaniline, N-ethoxycarbonyl-
SpectraBase Compound ID IPSDr0dKPMQ
InChI InChI=1S/C13H19NO2/c1-5-16-12(15)14-11-9-7-6-8-10(11)13(2,3)4/h6-9H,5H2,1-4H3,(H,14,15)
InChIKey JMCPSSGDDONVOA-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 BH4ZCEs7Tdt
Name 2-Tert-butylaniline, N-ethoxycarbonyl-
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/c1-5-16-12(15)14-11-9-7-6-8-10(11)13(2,3)4/h6-9H,5H2,1-4H3,(H,14,15)
InChIKey JMCPSSGDDONVOA-UHFFFAOYSA-N
Molecular Weight 221.300 g/mol
SMILES C(C)(C)(C)C1=C(NC(OCC)=O)C=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.826697