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1-[6'-(2"-Ethyl-1",3"-dioxolan-2"-yl)-2'-piperidyl]-3-heptanol

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

1-[6'-(2"-Ethyl-1",3"-dioxolan-2"-yl)-2'-piperidyl]-3-heptanol
SpectraBase Compound ID ApLybuug9Us
InChI InChI=1S/C17H33NO3/c1-3-5-8-15(19)11-10-14-7-6-9-16(18-14)17(4-2)20-12-13-21-17/h14-16,18-19H,3-13H2,1-2H3
InChIKey MHJHCTFKZKLTJY-UHFFFAOYSA-N
Mol Weight 299.5 g/mol
Molecular Formula C17H33NO3
Exact Mass 299.246044 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1AjLlpe7Gu6
Name 1-[6'-(2''-Ethyl-1'',3''-dioxolan-2''-yl)-2'-piperidyl]-3-heptanol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 299.246043924 u
Formula C17H33NO3
InChI InChI=1S/C17H33NO3/c1-3-5-8-15(19)11-10-14-7-6-9-16(18-14)17(4-2)20-12-13-21-17/h14-16,18-19H,3-13H2,1-2H3
InChIKey MHJHCTFKZKLTJY-UHFFFAOYSA-N
Molecular Weight 299.455 g/mol
SMILES C1(C2NC(CCC(O)CCCC)CCC2)(OCCO1)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.87968