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

*Links on SpectraBase are not permalinks.

4H-Pyran-3-carboxylic acid, 6-amino-2-(chloromethyl)-5-cyano-4-(4-pyridinyl)-, ethyl ester

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

4H-Pyran-3-carboxylic acid, 6-amino-2-(chloromethyl)-5-cyano-4-(4-pyridinyl)-, ethyl ester
SpectraBase Compound ID GQwNkLmNnyq
InChI InChI=1S/C15H14ClN3O3/c1-2-21-15(20)13-11(7-16)22-14(18)10(8-17)12(13)9-3-5-19-6-4-9/h3-6,12H,2,7,18H2,1H3
InChIKey UNISIRIZBFRQTP-UHFFFAOYSA-N
Mol Weight 319.75 g/mol
Molecular Formula C15H14ClN3O3
Exact Mass 319.072369 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID K4PKhkg8VXJ
Name 4H-Pyran-3-carboxylic acid, 6-amino-2-(chloromethyl)-5-cyano-4-(4-pyridinyl)-, ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 319.072369020 u
Formula C15H14ClN3O3
InChI InChI=1S/C15H14ClN3O3/c1-2-21-15(20)13-11(7-16)22-14(18)10(8-17)12(13)9-3-5-19-6-4-9/h3-6,12H,2,7,18H2,1H3
InChIKey UNISIRIZBFRQTP-UHFFFAOYSA-N
Molecular Weight 319.748 g/mol
SMILES C=1(OC(=C(C(C1C#N)C=1C=CN=CC1)C(OCC)=O)CCl)N