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Vochysine

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

Vochysine
SpectraBase Compound ID LTa4KStO7x6
InChI InChI=1S/C20H23NO4/c1-24-18-11-16(23)14-8-9-17(12-4-6-13(22)7-5-12)25-20(14)19(18)15-3-2-10-21-15/h4-7,11,15,17,21-23H,2-3,8-10H2,1H3
InChIKey LEVIHKALYBTAAA-UHFFFAOYSA-N
Mol Weight 341.41 g/mol
Molecular Formula C20H23NO4
Exact Mass 341.162708 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2lHQB5WP7T8
Name Vochysine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 341.162708221 u
Formula C20H23NO4
InChI InChI=1S/C20H23NO4/c1-24-18-11-16(23)14-8-9-17(12-4-6-13(22)7-5-12)25-20(14)19(18)15-3-2-10-21-15/h4-7,11,15,17,21-23H,2-3,8-10H2,1H3
InChIKey LEVIHKALYBTAAA-UHFFFAOYSA-N
Molecular Weight 341.407 g/mol
SMILES C1=2C(=C(OC)C=C(C2CCC(O1)C1=CC=C(C=C1)O)O)C1NCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.85387