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N-(PARA-TOLUENESULFONYLCARBAMOYL)-ENDO-4-AMINOMETHYLTETRACYCLO-[6.2.1.1-(3.6).0-(2.7)]-DODEC-9-ENE
SpectraBase Compound ID 9irn9RqHYPs
InChI InChI=1S/C21H26N2O3S/c1-12-2-6-17(7-3-12)27(25,26)23-21(24)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,(H2,22,23,24)/t13-,14+,15-,16-,18-,19+,20-/m1/s1
InChIKey PKCWZBQPTKQOPY-UUTQPTAWSA-N
Mol Weight 386.51 g/mol
Molecular Formula C21H26N2O3S
Exact Mass 386.166414 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8YndQdCnXtV
Name N-(PARA-TOLUENESULFONYLCARBAMOYL)-ENDO-4-AMINOMETHYLTETRACYCLO-[6.2.1.1-(3.6).0-(2.7)]-DODEC-9-ENE
Compound Number X-B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H26N2O3S
InChI InChI=1S/C21H26N2O3S/c1-12-2-6-17(7-3-12)27(25,26)23-21(24)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,(H2,22,23,24)/t13-,14+,15-,16-,18-,19+,20-/m1/s1
InChIKey PKCWZBQPTKQOPY-UUTQPTAWSA-N
Literature Reference Author L.I.KASYAN,E.A.GOLODAEVA,S.I.OKOVITYI,A.O.KASYAN,D.V.KARPENK O,L.K.UMRYKHINA
Literature Reference Citation RUSS.J.ORG.CHEM.,40,1080(2004)
Literature Reference DOI 10.1023/B:RUJO.0000045886.62849.a8
Molecular Weight 386.509 g/mol
Solvent CDCl3_OR_DMSO-D6
Source File Reference UWMZ16526