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16,18-Diphenyl-1,15-diaza-10-thiatetracyclo[13.3.0.0(3,8).0(9,13)]octadeca-3(8),4,6,9(13),11-pentaene-2-one
SpectraBase Compound ID DrN7UtmuvvV
InChI InChI=1S/C27H22N2OS/c30-27-23-14-8-7-13-22(23)26-21(15-16-31-26)18-28-24(19-9-3-1-4-10-19)17-25(29(27)28)20-11-5-2-6-12-20/h1-16,24-25H,17-18H2/t24-,25+/m0/s1
InChIKey HQQZNLPQXMRWPR-LOSJGSFVSA-N
Mol Weight 422.55 g/mol
Molecular Formula C27H22N2OS
Exact Mass 422.145285 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HjoQmHwNgyF
Name 16,18-Diphenyl-1,15-diaza-10-thiatetracyclo[13.3.0.0(3,8).0(9,13)]octadeca-3(8),4,6,9(13),11-pentaene-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H22N2OS
InChI InChI=1S/C27H22N2OS/c30-27-23-14-8-7-13-22(23)26-21(15-16-31-26)18-28-24(19-9-3-1-4-10-19)17-25(29(27)28)20-11-5-2-6-12-20/h1-16,24-25H,17-18H2/t24-,25+/m0/s1
InChIKey HQQZNLPQXMRWPR-LOSJGSFVSA-N
Molecular Weight 422.546 g/mol
SMILES [C@]1(N2N([C@](C1)(c1ccccc1)[H])C(c1c(-c3c(C2)ccs3)cccc1)=O)(c1ccccc1)[H]
SPLASH splash10-00di-0960700000-d4b290f05113e3c768d9
Source of Spectrum F-59-4466-54b
Wiley ID 1678347