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exo-4,8-Epimino-5,7-dimethyl-2-phenyl-2,3,3a,4,8,8a-hexahydro-1H-thieno[3,4-f]isoindole-1,3-dione
SpectraBase Compound ID KvKDMUXq7l2
InChI InChI=1S/C18H16N2O2S/c1-8-11-12(9(2)23-8)16-14-13(15(11)19-16)17(21)20(18(14)22)10-6-4-3-5-7-10/h3-7,13-16,19H,1-2H3/t13-,14-,15-,16+/m0/s1
InChIKey YFICIEFVZYXTJN-YHUYYLMFSA-N
Mol Weight 324.4 g/mol
Molecular Formula C18H16N2O2S
Exact Mass 324.093249 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9TRVXZJXyyU
Name exo-4,8-Epimino-5,7-dimethyl-2-phenyl-2,3,3a,4,8,8a-hexahydro-1H-thieno[3,4-f]isoindole-1,3-dione
Alternate Name(s) 3,5-Dimethyl-10-phenyl-4-thia-10,13-diazatetracyclo[5.5.1.0(2,6).0(8,12)]trideca-2,5-diene-9,11-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16N2O2S
InChI InChI=1S/C18H16N2O2S/c1-8-11-12(9(2)23-8)16-14-13(15(11)19-16)17(21)20(18(14)22)10-6-4-3-5-7-10/h3-7,13-16,19H,1-2H3/t13-,14-,15-,16+/m0/s1
InChIKey YFICIEFVZYXTJN-YHUYYLMFSA-N
Molecular Weight 324.398 g/mol
SMILES N1[C@@]2([C@@]3([C@@]([C@]1(c1c2c(sc1C)C)[H])(C(N(C3=O)c1ccccc1)=O)[H])[H])[H]
SPLASH splash10-0udi-0900000000-b332fd1b3cd42b2a7b6c
Source of Spectrum KC-0-3070-15
Wiley ID 782536