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N-BENZOYLTHIOCARBAMOYL-EXO-4-AMINOMETHYLTETRACYCLO-[6.2.1.1-(3.6).0-(2.7)]-DODEC-9-ENE
SpectraBase Compound ID eLCg5DV9TP
InChI InChI=1S/C21H24N2OS/c24-20(12-4-2-1-3-5-12)23-21(25)22-11-16-9-15-10-17(16)19-14-7-6-13(8-14)18(15)19/h1-7,13-19H,8-11H2,(H2,22,23,24,25)/t13-,14+,15-,16-,17-,18+,19-/m1/s1
InChIKey VIWNRXUBPKJQKQ-PPXQIISCSA-N
Mol Weight 352.5 g/mol
Molecular Formula C21H24N2OS
Exact Mass 352.160935 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HUwUGPFMN5r
Name N-BENZOYLTHIOCARBAMOYL-EXO-4-AMINOMETHYLTETRACYCLO-[6.2.1.1-(3.6).0-(2.7)]-DODEC-9-ENE
Compound Number XIV-A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H24N2OS
InChI InChI=1S/C21H24N2OS/c24-20(12-4-2-1-3-5-12)23-21(25)22-11-16-9-15-10-17(16)19-14-7-6-13(8-14)18(15)19/h1-7,13-19H,8-11H2,(H2,22,23,24,25)/t13-,14+,15-,16-,17-,18+,19-/m1/s1
InChIKey VIWNRXUBPKJQKQ-PPXQIISCSA-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 352.494 g/mol
Solvent CDCl3_OR_DMSO-D6
Source File Reference UWMZ16528