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

*Links on SpectraBase are not permalinks.

Dixyrazine-M (O-dealkyl-) AC

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

Dixyrazine-M (O-dealkyl-) AC
SpectraBase Compound ID 7Lau8zAFnrc
InChI InChI=1S/C24H31N3O2S/c1-19(17-26-13-11-25(12-14-26)15-16-29-20(2)28)18-27-21-7-3-5-9-23(21)30-24-10-6-4-8-22(24)27/h3-10,19H,11-18H2,1-2H3
InChIKey JMKZUSPFNSRQHY-UHFFFAOYSA-N
Mol Weight 425.59 g/mol
Molecular Formula C24H31N3O2S
Exact Mass 425.213698 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 JjLy2K5SAeU
Name Dixyrazine-m (o-dealkyl-) ac P1521
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 425.213698422 u
Formula C24H31N3O2S
InChI InChI=1S/C24H31N3O2S/c1-19(17-26-13-11-25(12-14-26)15-16-29-20(2)28)18-27-21-7-3-5-9-23(21)30-24-10-6-4-8-22(24)27/h3-10,19H,11-18H2,1-2H3
InChIKey JMKZUSPFNSRQHY-UHFFFAOYSA-N
Molecular Weight 425.591 g/mol
SMILES CC(OCCN1CCN(CC1)CC(CN1C2=CC=CC=C2SC=2C=CC=CC12)C)=O