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N-(TETRACYCLO-[6.2.1.1-(3.6).0-(2.7)]-DODEC-9-EN-4-EXO-YLMETHYL)-N'-(4-TOLYLSULFONYL)-UREA
SpectraBase Compound ID 9eXDOHqPwxM
InChI InChI=1S/C21H26N2O2S2/c1-12-2-6-17(7-3-12)27(24,25)23-21(26)22-11-16-9-15-10-18(16)20-14-5-4-13(8-14)19(15)20/h2-7,13-16,18-20H,8-11H2,1H3,(H2,22,23,26)/t13-,14+,15-,16+,18+,19+,20-/m0/s1
InChIKey IEDYKVDVMSPHEI-OWWVAZJMSA-N
Mol Weight 402.57 g/mol
Molecular Formula C21H26N2O2S2
Exact Mass 402.14357 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LkRqjFW6jFi
Name N-(TETRACYCLO-[6.2.1.1-(3.6).0-(2.7)]-DODEC-9-EN-4-EXO-YLMETHYL)-N'-(4-TOLYLSULFONYL)-UREA
Compound Number VII-B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H26N2O2S2
InChI InChI=1S/C21H26N2O2S2/c1-12-2-6-17(7-3-12)27(24,25)23-21(26)22-11-16-9-15-10-18(16)20-14-5-4-13(8-14)19(15)20/h2-7,13-16,18-20H,8-11H2,1H3,(H2,22,23,26)/t13-,14+,15-,16+,18+,19+,20-/m0/s1
InChIKey IEDYKVDVMSPHEI-OWWVAZJMSA-N
Literature Reference Author A.O.KASYAN,E.A.GOLODAEVA,O.V.YUZLENKO,S.V.SHISHKINA,O.V.SHIS HKIN,L.I.KASYAN
Literature Reference Citation RUSS.J.ORG.CHEM.,39,1724(2003)
Literature Reference DOI 10.1023/B:RUJO.0000019735.01576.ce
Molecular Weight 402.570 g/mol
Solvent CDCl3
Source File Reference UWMZ22332