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psi-Malm 2me

View entire compound with spectra: 1 FTIR

psi-Malm 2me
SpectraBase Compound ID 8rUGSll2uYJ
InChI InChI=1S/C16H25NO3/c1-7-8-20-13-10-15(18-5)14(16(11-13)19-6)9-12(2)17(3)4/h7,10-12H,1,8-9H2,2-6H3
InChIKey HGISBHGULPIHHU-UHFFFAOYSA-N
Mol Weight 279.38 g/mol
Molecular Formula C16H25NO3
Exact Mass 279.183444 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LtijS9nY2Tm
Name psi-Malm 2me
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 279.183443666 u
Formula C16H25NO3
InChI InChI=1S/C16H25NO3/c1-7-8-20-13-10-15(18-5)14(16(11-13)19-6)9-12(2)17(3)4/h7,10-12H,1,8-9H2,2-6H3
InChIKey HGISBHGULPIHHU-UHFFFAOYSA-N
Molecular Weight 279.380 g/mol
SMILES C1(=C(C=C(C=C1OC)OCC=C)OC)CC(N(C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.870227