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(E)-N-Benzyl-3-(p-chlorobenzenesulfonyl)azacyclotridec-2-ene
SpectraBase Compound ID 2a8E8J4Ynxy
InChI InChI=1S/C25H32ClNO2S/c26-23-15-17-24(18-16-23)30(28,29)25-14-10-5-3-1-2-4-6-11-19-27(21-25)20-22-12-8-7-9-13-22/h7-9,12-13,15-18,21H,1-6,10-11,14,19-20H2/b25-21+
InChIKey OHWOJLHPFGPJMQ-NJNXFGOHSA-N
Mol Weight 446.0 g/mol
Molecular Formula C25H32ClNO2S
Exact Mass 445.184228 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GuBoLIECjwk
Name (E)-N-Benzyl-3-(p-chlorobenzenesulfonyl)azacyclotridec-2-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H32ClNO2S
InChI InChI=1S/C25H32ClNO2S/c26-23-15-17-24(18-16-23)30(28,29)25-14-10-5-3-1-2-4-6-11-19-27(21-25)20-22-12-8-7-9-13-22/h7-9,12-13,15-18,21H,1-6,10-11,14,19-20H2/b25-21+
InChIKey OHWOJLHPFGPJMQ-NJNXFGOHSA-N
Molecular Weight 446.049 g/mol
SMILES C(N1\C=C/(S(c2ccc(cc2)Cl)(=O)=O)CCCCCCCCCC1)c1ccccc1
SPLASH splash10-00di-3290200000-2910df586e26e2b007ed
Source of Spectrum J-73-4637-a
Wiley ID 1668245