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5,8:17,20-Dietheno-1H,9H,16H-pyrazolo[1,2-l][1,6,12,13]dithiadiazacyclooctadecine-1,3(2H)-dione, 11,12,13,14-tetrahydro-2,2-dimethyl-

View entire compound with spectra: 2 MS (GC)

5,8:17,20-Dietheno-1H,9H,16H-pyrazolo[1,2-l][1,6,12,13]dithiadiazacyclooctadecine-1,3(2H)-dione, 11,12,13,14-tetrahydro-2,2-dimethyl-
SpectraBase Compound ID kfzgSmVfWv
InChI InChI=1S/C23H26N2O2S2/c1-23(2)21(26)24-19-9-5-17(6-10-19)15-28-13-3-4-14-29-16-18-7-11-20(12-8-18)25(24)22(23)27/h5-12H,3-4,13-16H2,1-2H3
InChIKey ASGPBPDYXOMIDX-UHFFFAOYSA-N
Mol Weight 426.59 g/mol
Molecular Formula C23H26N2O2S2
Exact Mass 426.14357 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BGdCNMcbLoi
Name 15,16-(dimethylmalonyl)-2,7-dithia-15,16-diaza[8.2]metacyclophane
CAS Registry Number 121013-02-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26N2O2S2
InChI InChI=1S/C23H26N2O2S2/c1-23(2)21(26)24-19-9-5-17(6-10-19)15-28-13-3-4-14-29-16-18-7-11-20(12-8-18)25(24)22(23)27/h5-12H,3-4,13-16H2,1-2H3
InChIKey ASGPBPDYXOMIDX-UHFFFAOYSA-N
Molecular Weight 426.593 g/mol
SMILES C1(N2N(C(C1(C)C)=O)c1ccc(CSCCCCSCc3ccc2cc3)cc1)=O
SPLASH splash10-056r-0014900000-537538ab3f9e8d434914
Source of Spectrum K-122-1933-4
Synonyms 4,4-Dimethyl-12,17-dithia-2,6-diazatetracyclo[17.2.2.2(7,10).0(2,6)]pentacosa-1(21),7,9,19,22,24-hexaene-3,5-dione
Wiley ID 1379906