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9,17-Dithia-2,3-diazatricyclo[17.2.2.24,7]pentacosa-2,4,6,19,21,22,24-heptaene, (E)-

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

9,17-Dithia-2,3-diazatricyclo[17.2.2.24,7]pentacosa-2,4,6,19,21,22,24-heptaene, (E)-
SpectraBase Compound ID 2G5AiLEkioW
InChI InChI=1S/C21H26N2S2/c1-2-4-14-24-16-18-6-10-20(11-7-18)22-23-21-12-8-19(9-13-21)17-25-15-5-3-1/h6-13H,1-5,14-17H2/b23-22-
InChIKey UGVQLVMXIAUVHL-FCQUAONHSA-N
Mol Weight 370.57 g/mol
Molecular Formula C21H26N2S2
Exact Mass 370.153741 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID jC2Dv97lZZ
Name 9,17-Dithia-2,3-diazatricyclo[17.2.2.24,7]pentacosa-2,4,6,19,21,22,24-heptaene, (E)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 370.153741193 u
Formula C21H26N2S2
InChI InChI=1S/C21H26N2S2/c1-2-4-14-24-16-18-6-10-20(11-7-18)22-23-21-12-8-19(9-13-21)17-25-15-5-3-1/h6-13H,1-5,14-17H2/b23-22-
InChIKey UGVQLVMXIAUVHL-FCQUAONHSA-N
Molecular Weight 370.573 g/mol
SMILES C1=2\N=N/C=3C=CC(CSCCCCCCCSCC(=CC2)C=C1)=CC3