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

*Links on SpectraBase are not permalinks.

Xanthevodine

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

Xanthevodine
SpectraBase Compound ID HROVbKr36pO
InChI InChI=1S/C16H13NO5/c1-19-13-10-11(14(20-2)16-15(13)21-7-22-16)17-9-6-4-3-5-8(9)12(10)18/h3-6H,7H2,1-2H3,(H,17,18)
InChIKey XKWQECWFQVTROA-UHFFFAOYSA-N
Mol Weight 299.28 g/mol
Molecular Formula C16H13NO5
Exact Mass 299.079373 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 C62Cl2sQHSq
Name Xanthevodine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 299.079372518 u
Formula C16H13NO5
InChI InChI=1S/C16H13NO5/c1-19-13-10-11(14(20-2)16-15(13)21-7-22-16)17-9-6-4-3-5-8(9)12(10)18/h3-6H,7H2,1-2H3,(H,17,18)
InChIKey XKWQECWFQVTROA-UHFFFAOYSA-N
Molecular Weight 299.282 g/mol
SMILES C1=2NC=3C(C(C2C(=C2C(OCO2)=C1OC)OC)=O)=CC=CC3
Spectrum/Structure Validation Score (Vapor Phase IR) 0.880457