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N-Tosyl-2-azatricyclo[7.3.0.0(6,11)]dodec-12-ene
SpectraBase Compound ID 6HgFc7EKc0t
InChI InChI=1S/C18H23NO2S/c1-13-6-8-15(9-7-13)22(20,21)19-11-10-17-16-5-3-2-4-14(16)12-18(17)19/h6-9,12,14,16-17H,2-5,10-11H2,1H3/t14-,16-,17-/m1/s1
InChIKey FWQYOJJLNFFHGR-DJIMGWMZSA-N
Mol Weight 317.45 g/mol
Molecular Formula C18H23NO2S
Exact Mass 317.14495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5R0IdOxHTa0
Name N-Tosyl-2-azatricyclo[7.3.0.0(6,11)]dodec-12-ene
Alternate Name(s) (3aR,3bR,7aS)-1-(Toluene-4-sulfonyl)-1,2,3,3a,3b,4,5,6,7,7a-decahydro-indeno[2,1-b]pyrrole 4-[(4-methylphenyl)sulfonyl]-4-azatricyclo[6.4.0.0(3,11)]dodec-2-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23NO2S
InChI InChI=1S/C18H23NO2S/c1-13-6-8-15(9-7-13)22(20,21)19-11-10-17-16-5-3-2-4-14(16)12-18(17)19/h6-9,12,14,16-17H,2-5,10-11H2,1H3/t14-,16-,17-/m1/s1
InChIKey FWQYOJJLNFFHGR-DJIMGWMZSA-N
Molecular Weight 317.447 g/mol
SMILES C=12N(S(c3ccc(C)cc3)(=O)=O)CC[C@@]2([C@@]2(CCCC[C@@]2(C1)[H])[H])[H]
SPLASH splash10-0udl-5092000000-385a02a55ca2d61d12c6
Source of Spectrum J-61-5451-73
Wiley ID 1317700