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3-Isobutyl-2-isopropyl-6-phenyl-1,3-oxazinane

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

3-Isobutyl-2-isopropyl-6-phenyl-1,3-oxazinane
SpectraBase Compound ID 6h14Pj7hyAP
InChI InChI=1S/C17H27NO/c1-13(2)12-18-11-10-16(19-17(18)14(3)4)15-8-6-5-7-9-15/h5-9,13-14,16-17H,10-12H2,1-4H3
InChIKey XKQLBHISIHHTJQ-UHFFFAOYSA-N
Mol Weight 261.41 g/mol
Molecular Formula C17H27NO
Exact Mass 261.209264 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID II8UiFr7Fof
Name 3-Isobutyl-2-isopropyl-6-phenyl-1,3-oxazinane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 261.209264492 u
Formula C17H27NO
InChI InChI=1S/C17H27NO/c1-13(2)12-18-11-10-16(19-17(18)14(3)4)15-8-6-5-7-9-15/h5-9,13-14,16-17H,10-12H2,1-4H3
InChIKey XKQLBHISIHHTJQ-UHFFFAOYSA-N
Molecular Weight 261.409 g/mol
SMILES C1(N(CCC(O1)C=1C=CC=CC1)CC(C)C)C(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.894068