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Deglucopterocereine-N-oxide

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

Deglucopterocereine-N-oxide
SpectraBase Compound ID CkTwLDVfpA2
InChI InChI=1S/C13H19NO5/c1-14(17)5-4-8-9(10(14)7-15)6-11(18-2)13(19-3)12(8)16/h6,10,15-16H,4-5,7H2,1-3H3
InChIKey LRJHVWWITVQYQX-UHFFFAOYSA-N
Mol Weight 269.3 g/mol
Molecular Formula C13H19NO5
Exact Mass 269.126323 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HiR7ho20O8s
Name Deglucopterocereine-N-oxide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 269.126322711 u
Formula C13H19NO5
InChI InChI=1S/C13H19NO5/c1-14(17)5-4-8-9(10(14)7-15)6-11(18-2)13(19-3)12(8)16/h6,10,15-16H,4-5,7H2,1-3H3
InChIKey LRJHVWWITVQYQX-UHFFFAOYSA-N
Molecular Weight 269.297 g/mol
SMILES C1(N(CCC=2C1=CC(=C(C2O)OC)OC)(=O)C)CO
Spectrum/Structure Validation Score (Vapor Phase IR) 0.868696