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17,18-(dimethylmalonyl)-2,9-dithia-17,18-diaza[10.2]metacyclophene
SpectraBase Compound ID GxfcY0xKWeu
InChI InChI=1S/C25H30N2O2S2/c1-25(2)23(28)26-14-6-4-3-5-7-15-30-21-12-9-13-22(17-21)31-18-19-10-8-11-20(16-19)27(26)24(25)29/h8-13,16-17H,3-7,14-15,18H2,1-2H3
InChIKey HZVZQRRZDYKIER-UHFFFAOYSA-N
Mol Weight 454.65 g/mol
Molecular Formula C25H30N2O2S2
Exact Mass 454.174871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K2YC8HVNdLQ
Name 17,18-(dimethylmalonyl)-2,9-dithia-17,18-diaza[10.2]metacyclophene
CAS Registry Number 121013-03-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H30N2O2S2
InChI InChI=1S/C25H30N2O2S2/c1-25(2)23(28)26-14-6-4-3-5-7-15-30-21-12-9-13-22(17-21)31-18-19-10-8-11-20(16-19)27(26)24(25)29/h8-13,16-17H,3-7,14-15,18H2,1-2H3
InChIKey HZVZQRRZDYKIER-UHFFFAOYSA-N
Molecular Weight 454.647 g/mol
SMILES C1(N2N(C(C1(C)C)=O)c1cc(CSc3cc(SCCCCCCC2)ccc3)ccc1)=O
SPLASH splash10-0a4i-7430900000-0825e998ca366f91ad8f
Source of Spectrum K-122-1933-4
Synonyms 4,4-Dimethyl-14,20-dithia-2,6-diazatetracyclo[20.3.1.1(15,19).0(2,6)]heptacosa-1(26),15(27),16,18,22,24-hexaene-3,5-dione
Wiley ID 1388766