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(2R,9S)-9-(1-Propynyl)-2-phenyl-1-aza-4-oxabicyclo[4.3.0]nonane

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

(2R,9S)-9-(1-Propynyl)-2-phenyl-1-aza-4-oxabicyclo[4.3.0]nonane
SpectraBase Compound ID 7A9B1da7Zxj
InChI InChI=1S/C16H19NO/c1-2-6-14-9-10-15-11-18-12-16(17(14)15)13-7-4-3-5-8-13/h3-5,7-8,14-16H,9-12H2,1H3/t14-,15?,16+/m1/s1
InChIKey JMEQGQBMKDPKGN-TUOGLVOQSA-N
Mol Weight 241.33 g/mol
Molecular Formula C16H19NO
Exact Mass 241.146664 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FopTbuVosOv
Name (2R,9S)-9-(1-Propynyl)-2-phenyl-1-aza-4-oxabicyclo[4.3.0]nonane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 241.146664235 u
Formula C16H19NO
InChI InChI=1S/C16H19NO/c1-2-6-14-9-10-15-11-18-12-16(17(14)15)13-7-4-3-5-8-13/h3-5,7-8,14-16H,9-12H2,1H3/t14-,15?,16+/m1/s1
InChIKey JMEQGQBMKDPKGN-TUOGLVOQSA-N
Molecular Weight 241.334 g/mol
SMILES [C@]1(N2C(COC1)CC[C@]2(C#CC)[H])(C1=CC=CC=C1)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.858784