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7,7-Diethoxy-2-methylhept-1-en-5-yn-4-ylamine

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

7,7-Diethoxy-2-methylhept-1-en-5-yn-4-ylamine
SpectraBase Compound ID Ef9Luou6utp
InChI InChI=1S/C12H21NO2/c1-5-14-12(15-6-2)8-7-11(13)9-10(3)4/h11-12H,3,5-6,9,13H2,1-2,4H3
InChIKey MFUHSSVPVNRMCR-UHFFFAOYSA-N
Mol Weight 211.3 g/mol
Molecular Formula C12H21NO2
Exact Mass 211.157229 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CE9Wp8FeRDV
Name 7,7-Diethoxy-2-methylhept-1-en-5-yn-4-ylamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 211.157228918 u
Formula C12H21NO2
InChI InChI=1S/C12H21NO2/c1-5-14-12(15-6-2)8-7-11(13)9-10(3)4/h11-12H,3,5-6,9,13H2,1-2,4H3
InChIKey MFUHSSVPVNRMCR-UHFFFAOYSA-N
Molecular Weight 211.305 g/mol
SMILES C(#CC(CC(=C)C)N)C(OCC)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.937368