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(+-)-3,4-dihydro-3-(5'-hydroxypentyl)-4-ethyl-2H-1,3-benzoxazine

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

(+-)-3,4-dihydro-3-(5'-hydroxypentyl)-4-ethyl-2H-1,3-benzoxazine
SpectraBase Compound ID FeOrcDJ5PMn
InChI InChI=1S/C15H23NO2/c1-2-14-13-8-4-5-9-15(13)18-12-16(14)10-6-3-7-11-17/h4-5,8-9,14,17H,2-3,6-7,10-12H2,1H3
InChIKey WDQJJAHGMBWOPG-UHFFFAOYSA-N
Mol Weight 249.35 g/mol
Molecular Formula C15H23NO2
Exact Mass 249.172879 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID INKn0GDgbvI
Name (+-)-3,4-dihydro-3-(5'-hydroxypentyl)-4-ethyl-2H-1,3-benzoxazine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 249.172878983 u
Formula C15H23NO2
InChI InChI=1S/C15H23NO2/c1-2-14-13-8-4-5-9-15(13)18-12-16(14)10-6-3-7-11-17/h4-5,8-9,14,17H,2-3,6-7,10-12H2,1H3
InChIKey WDQJJAHGMBWOPG-UHFFFAOYSA-N
Molecular Weight 249.354 g/mol
SMILES C1=CC=C2C(N(COC2=C1)CCCCCO)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.888757