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2,6-Diazabicyclo[2.2.2]oct-7-ene-3,5-dione, 8-(diethylamino)-1-(ethylthio)-2,6,7-trimethyl-4-phenyl-

View entire compound with spectra: 1 MS (GC)

2,6-Diazabicyclo[2.2.2]oct-7-ene-3,5-dione, 8-(diethylamino)-1-(ethylthio)-2,6,7-trimethyl-4-phenyl-
SpectraBase Compound ID AnDsKcTMTfT
InChI InChI=1S/C21H29N3O2S/c1-7-24(8-2)17-15(4)21(27-9-3)22(5)18(25)20(17,19(26)23(21)6)16-13-11-10-12-14-16/h10-14H,7-9H2,1-6H3/t20-,21-
InChIKey JLVCZVIWOLIQIK-MEMLXQNLSA-N
Mol Weight 387.54 g/mol
Molecular Formula C21H29N3O2S
Exact Mass 387.198048 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BwwhTwQPXNm
Name 2,6-Diazabicyclo[2.2.2]oct-7-ene-3,5-dione, 8-(diethylamino)-1-(ethylthio)-2,6,7-trimethyl-4-phenyl-
CAS Registry Number 103525-98-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H29N3O2S
InChI InChI=1S/C21H29N3O2S/c1-7-24(8-2)17-15(4)21(27-9-3)22(5)18(25)20(17,19(26)23(21)6)16-13-11-10-12-14-16/h10-14H,7-9H2,1-6H3/t20-,21-
InChIKey JLVCZVIWOLIQIK-MEMLXQNLSA-N
Molecular Weight 387.542 g/mol
SMILES [C@]12(N(C(=O)[C@@](C(=C2C)N(CC)CC)(c2ccccc2)C(N1C)=O)C)SCC
SPLASH splash10-05n0-5958000000-2b48fdbb41caf74a1546
Source of Spectrum K-119-1326-5
Synonyms 8-(diethylamino)-1-(ethylsulfanyl)-2,6,7-trimethyl-4-phenyl-2,6-diazabicyclo[2.2.2]oct-7-ene-3,5-dione 8-(diethylamino)-1-(ethylthio)-2,6,7-trimethyl-4-phenyl-2,6-diazabicyclo[2.2.2]oct-7-en-3,5-dion
Wiley ID 1363405