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Carbonic acid, monoamide, N-octyl-, isobutyl ester

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Carbonic acid, monoamide, N-octyl-, isobutyl ester
SpectraBase Compound ID 4qjlQ4eN7rX
InChI InChI=1S/C13H27NO2/c1-4-5-6-7-8-9-10-14-13(15)16-11-12(2)3/h12H,4-11H2,1-3H3,(H,14,15)
InChIKey MFVJOFVEEHZBIE-UHFFFAOYSA-N
Mol Weight 229.36 g/mol
Molecular Formula C13H27NO2
Exact Mass 229.204179 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JliTkc2ZdTv
Name Carbonic acid, monoamide, N-octyl-, isobutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 229.204179111 u
Formula C13H27NO2
InChI InChI=1S/C13H27NO2/c1-4-5-6-7-8-9-10-14-13(15)16-11-12(2)3/h12H,4-11H2,1-3H3,(H,14,15)
InChIKey MFVJOFVEEHZBIE-UHFFFAOYSA-N
Molecular Weight 229.364 g/mol
SMILES C(CCNC(OCC(C)C)=O)CCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.946515