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12,15-Bis(1-iodopentylidene)-12,15-dihydro-5H-dibenzo[d,i][1,2,6,8]dithiadiazacycloundecin-6(7H)-one
SpectraBase Compound ID 5zC0LgHkasW
InChI InChI=1S/C25H28I2N2OS2/c1-3-5-13-19(26)23-17-11-7-9-15-21(17)28-25(30)29-22-16-10-8-12-18(22)24(32-31-23)20(27)14-6-4-2/h7-12,15-16H,3-6,13-14H2,1-2H3,(H2,28,29,30)/b23-19+,24-20+
InChIKey DJZGYTBGXWMKNP-BLVCXSLXSA-N
Mol Weight 690.44 g/mol
Molecular Formula C25H28I2N2OS2
Exact Mass 689.973246 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JJ32sETCQSP
Name 12,15-Bis(1-iodopentylidene)-12,15-dihydro-5H-dibenzo[d,i][1,2,6,8]dithiadiazacycloundecin-6(7H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H28I2N2OS2
InChI InChI=1S/C25H28I2N2OS2/c1-3-5-13-19(26)23-17-11-7-9-15-21(17)28-25(30)29-22-16-10-8-12-18(22)24(32-31-23)20(27)14-6-4-2/h7-12,15-16H,3-6,13-14H2,1-2H3,(H2,28,29,30)/b23-19+,24-20+
InChIKey DJZGYTBGXWMKNP-BLVCXSLXSA-N
Molecular Weight 690.441 g/mol
SMILES N1c2c(\C(SS\C(c3c(NC1=O)cccc3)=C\(I)CCCC)=C\(I)CCCC)cccc2
SPLASH splash10-0h36-0920112000-c33837959e54ff78994d
Source of Spectrum F-69-6486-11
Synonyms (12E,15E)-12,15-bis(1-iodopentylidene)-12,15-dihydro-5H-dibenzo[d,i][1,2,6,8]dithiadiazacycloundecin-6(7H)-one
Wiley ID 1738375