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(12-Z)-N-Acetylnornuciferin

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

(12-Z)-N-Acetylnornuciferin
SpectraBase Compound ID 2nIBlScX4oi
InChI InChI=1S/C20H21NO3/c1-12(22)21-9-8-14-11-17(23-2)20(24-3)19-15-7-5-4-6-13(15)10-16(21)18(14)19/h4-7,11,16H,8-10H2,1-3H3
InChIKey DSYUERSKJXONOW-UHFFFAOYSA-N
Mol Weight 323.39 g/mol
Molecular Formula C20H21NO3
Exact Mass 323.152144 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1gWN7vB1LrU
Name (12-Z)-N-Acetylnornuciferin
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 323.152143537 u
Formula C20H21NO3
InChI InChI=1S/C20H21NO3/c1-12(22)21-9-8-14-11-17(23-2)20(24-3)19-15-7-5-4-6-13(15)10-16(21)18(14)19/h4-7,11,16H,8-10H2,1-3H3
InChIKey DSYUERSKJXONOW-UHFFFAOYSA-N
Molecular Weight 323.392 g/mol
SMILES C(=O)(C)N1CCC2=CC(OC)=C(OC)C=3C4=CC=CC=C4CC1C23
Spectrum/Structure Validation Score (Vapor Phase IR) 0.907224