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Dixyrazine AC

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

Dixyrazine AC
SpectraBase Compound ID BRJJnKkBp6F
InChI InChI=1S/C26H35N3O3S/c1-21(19-28-13-11-27(12-14-28)15-16-31-17-18-32-22(2)30)20-29-23-7-3-5-9-25(23)33-26-10-6-4-8-24(26)29/h3-10,21H,11-20H2,1-2H3
InChIKey LAHKSILSJFAQLI-UHFFFAOYSA-N
Mol Weight 469.6 g/mol
Molecular Formula C26H35N3O3S
Exact Mass 469.239913 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GeTd5B6uk7d
Name Dixyrazine ac P1617
Comments Computed using HOSE algorithm
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Exact Mass 469.239913170 u
Formula C26H35N3O3S
InChI InChI=1S/C26H35N3O3S/c1-21(19-28-13-11-27(12-14-28)15-16-31-17-18-32-22(2)30)20-29-23-7-3-5-9-25(23)33-26-10-6-4-8-24(26)29/h3-10,21H,11-20H2,1-2H3
InChIKey LAHKSILSJFAQLI-UHFFFAOYSA-N
Molecular Weight 469.644 g/mol
SMILES C(OCCOC(C)=O)CN1CCN(CC1)CC(CN1C2=CC=CC=C2SC=2C=CC=CC12)C