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

*Links on SpectraBase are not permalinks.
N-(4'-Nitrobenzyl)canthadin-imide
SpectraBase Compound ID KURamWLivWr
InChI InChI=1S/C17H18N2O5/c1-16-12-7-8-13(24-12)17(16,2)15(21)18(14(16)20)9-10-3-5-11(6-4-10)19(22)23/h3-6,12-13H,7-9H2,1-2H3/t12?,13?,16-,17+
InChIKey PWWNEAHNLAODOR-QDIASNEPSA-N
Mol Weight 330.34 g/mol
Molecular Formula C17H18N2O5
Exact Mass 330.121572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 8N4C5lKfvrU
Name N-(4'-Nitrobenzyl)canthadin-imide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18N2O5
InChI InChI=1S/C17H18N2O5/c1-16-12-7-8-13(24-12)17(16,2)15(21)18(14(16)20)9-10-3-5-11(6-4-10)19(22)23/h3-6,12-13H,7-9H2,1-2H3/t12?,13?,16-,17+
InChIKey PWWNEAHNLAODOR-QDIASNEPSA-N
Molecular Weight 330.340 g/mol
SMILES [C@@]12([C@@](C(=O)N(C2=O)Cc2ccc(N(=O)=O)cc2)(C2OC1CC2)C)C
SPLASH splash10-0ab9-9000000000-7e36f11e0e574ee3419f
Source of Spectrum SK-29-1615-4
Wiley ID 880694