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13,14-glutaryl-2,5-dithia-13,14-diaza[6.2]paracyclophane
SpectraBase Compound ID IVFTDv8SOgU
InChI InChI=1S/C21H22N2O2S2/c24-20-2-1-3-21(25)23-19-10-6-17(7-11-19)15-27-13-12-26-14-16-4-8-18(9-5-16)22(20)23/h4-11H,1-3,12-15H2
InChIKey JIUFSOWHIMIJBH-UHFFFAOYSA-N
Mol Weight 398.54 g/mol
Molecular Formula C21H22N2O2S2
Exact Mass 398.11227 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6bvp3xM7YKd
Name 13,14-glutaryl-2,5-dithia-13,14-diaza[6.2]paracyclophane
Alternate Name(s) 14,17-dithia-2,8-diazatetracyclo[17.2.2.2(9,12).0(2,8)]pentacosa-1(21),9,11,19,22,24-hexaene-3,7-dione
CAS Registry Number 121014-18-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N2O2S2
InChI InChI=1S/C21H22N2O2S2/c24-20-2-1-3-21(25)23-19-10-6-17(7-11-19)15-27-13-12-26-14-16-4-8-18(9-5-16)22(20)23/h4-11H,1-3,12-15H2
InChIKey JIUFSOWHIMIJBH-UHFFFAOYSA-N
Molecular Weight 398.539 g/mol
SMILES C1(N2N(C(CCC1)=O)c1ccc(CSCCSCc3ccc2cc3)cc1)=O
SPLASH splash10-0k92-0936000000-be5501e8d87b83591b99
Source of Spectrum K-122-1508-15
Wiley ID 1368351