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(E)-N-Benzyl-3-(p-toluenesulfonyl)azacycldec-2-ene

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

(E)-N-Benzyl-3-(p-toluenesulfonyl)azacycldec-2-ene
SpectraBase Compound ID F8CEY6o6EHi
InChI InChI=1S/C23H29NO2S/c1-20-13-15-22(16-14-20)27(25,26)23-12-8-3-2-4-9-17-24(19-23)18-21-10-6-5-7-11-21/h5-7,10-11,13-16,19H,2-4,8-9,12,17-18H2,1H3/b23-19+
InChIKey INTIQMQJKZATCH-FCDQGJHFSA-N
Mol Weight 383.55 g/mol
Molecular Formula C23H29NO2S
Exact Mass 383.1919 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1ZXC5YgKi4D
Name (E)-N-Benzyl-3-(p-toluenesulfonyl)azacycldec-2-ene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 383.191900350 u
Formula C23H29NO2S
InChI InChI=1S/C23H29NO2S/c1-20-13-15-22(16-14-20)27(25,26)23-12-8-3-2-4-9-17-24(19-23)18-21-10-6-5-7-11-21/h5-7,10-11,13-16,19H,2-4,8-9,12,17-18H2,1H3/b23-19+
InChIKey INTIQMQJKZATCH-FCDQGJHFSA-N
Molecular Weight 383.550 g/mol
SMILES C(N1\C=C/(S(C2=CC=C(C=C2)C)(=O)=O)CCCCCCC1)C=1C=CC=CC1