For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Megistonine-I

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

Megistonine-I
SpectraBase Compound ID 9mOHHKiyRfD
InChI InChI=1S/C18H21NO5/c1-10(2)6-7-11-13(20)9-8-12-14(11)19(3)15(18(22)24-5)17(23-4)16(12)21/h6,8-9,20H,7H2,1-5H3
InChIKey SFAKUCXCZOCMOD-UHFFFAOYSA-N
Mol Weight 331.37 g/mol
Molecular Formula C18H21NO5
Exact Mass 331.141973 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID KBMUXtIRkpi
Name Megistonine-I
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 331.141972775 u
Formula C18H21NO5
InChI InChI=1S/C18H21NO5/c1-10(2)6-7-11-13(20)9-8-12-14(11)19(3)15(18(22)24-5)17(23-4)16(12)21/h6,8-9,20H,7H2,1-5H3
InChIKey SFAKUCXCZOCMOD-UHFFFAOYSA-N
Molecular Weight 331.368 g/mol
SMILES C1(=O)C(=C(C(=O)OC)N(C=2C1=CC=C(O)C2CC=C(C)C)C)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.953479