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(5S,6R)-2-sec-Butyl-2-hydroxy-4,5-dimethyl-6-phenylmorpholin-3-one
SpectraBase Compound ID 3XSP5PLPhDY
InChI InChI=1S/C16H23NO3/c1-5-11(2)16(19)15(18)17(4)12(3)14(20-16)13-9-7-6-8-10-13/h6-12,14,19H,5H2,1-4H3/t11?,12-,14-,16?/m0/s1
InChIKey FUGVZZDGKMZFOB-LZPVFFGRSA-N
Mol Weight 277.36 g/mol
Molecular Formula C16H23NO3
Exact Mass 277.167794 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Bs7eA5HaEGG
Name (5S,6R)-2-sec-Butyl-2-hydroxy-4,5-dimethyl-6-phenylmorpholin-3-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 277.167793602 u
Formula C16H23NO3
InChI InChI=1S/C16H23NO3/c1-5-11(2)16(19)15(18)17(4)12(3)14(20-16)13-9-7-6-8-10-13/h6-12,14,19H,5H2,1-4H3/t11?,12-,14-,16?/m0/s1
InChIKey FUGVZZDGKMZFOB-LZPVFFGRSA-N
SMILES C1(C(N(C)[C@]([C@](O1)(C=1C=CC=CC1)[H])(C)[H])=O)(C(CC)C)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.85163