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19,20-(dimethylmalonyl)-2,11-dithia-19,20-diaza[1.2.2]metacyclophane
SpectraBase Compound ID 4yWL8dQOwLj
InChI InChI=1S/C27H34N2O2S2/c1-27(2)25(30)28-23-13-9-11-21(17-23)19-32-15-7-5-3-4-6-8-16-33-20-22-12-10-14-24(18-22)29(28)26(27)31/h9-14,17-18H,3-8,15-16,19-20H2,1-2H3
InChIKey VQXQQNHPDYZVDJ-UHFFFAOYSA-N
Mol Weight 482.7 g/mol
Molecular Formula C27H34N2O2S2
Exact Mass 482.206171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EEznOtBl0nh
Name 19,20-(dimethylmalonyl)-2,11-dithia-19,20-diaza[1.2.2]metacyclophane
CAS Registry Number 121013-04-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H34N2O2S2
InChI InChI=1S/C27H34N2O2S2/c1-27(2)25(30)28-23-13-9-11-21(17-23)19-32-15-7-5-3-4-6-8-16-33-20-22-12-10-14-24(18-22)29(28)26(27)31/h9-14,17-18H,3-8,15-16,19-20H2,1-2H3
InChIKey VQXQQNHPDYZVDJ-UHFFFAOYSA-N
Molecular Weight 482.701 g/mol
SMILES C1(N2N(C(C1(C)C)=O)c1cc(CSCCCCCCCCSCc3cc2ccc3)ccc1)=O
SPLASH splash10-001i-1522900000-8fe78bfcad2d9998ff7f
Source of Spectrum K-122-1933-4
Synonyms 4,4-Dimethyl-13,22-dithia-2,6-diazatetracyclo[22.3.1.1(7,11).0(2,6)]nonacosa-1(28),7(29),8,10,24,26-hexaene-3,5-dione
Wiley ID 1395642