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Carbonic acid, monoamide, N-pentyl-, but-2-ynyl ester

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Carbonic acid, monoamide, N-pentyl-, but-2-ynyl ester
SpectraBase Compound ID D0oq6B3Cu1E
InChI InChI=1S/C10H17NO2/c1-3-5-7-8-11-10(12)13-9-6-4-2/h3,5,7-9H2,1-2H3,(H,11,12)
InChIKey FYUXJQGOMIRAJT-UHFFFAOYSA-N
Mol Weight 183.25 g/mol
Molecular Formula C10H17NO2
Exact Mass 183.125929 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7Lay3r3dHwY
Name Carbonic acid, monoamide, N-pentyl-, but-2-ynyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 183.125928789 u
Formula C10H17NO2
InChI InChI=1S/C10H17NO2/c1-3-5-7-8-11-10(12)13-9-6-4-2/h3,5,7-9H2,1-2H3,(H,11,12)
InChIKey FYUXJQGOMIRAJT-UHFFFAOYSA-N
Molecular Weight 183.251 g/mol
SMILES C(CCNC(OCC#CC)=O)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.940257