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(3R)-1,5-Dimethyl-3-phenyl-1,2,3,3a,5,9b-hexahydrobenzo[c]pyrrolo[2,3-e][1,2]thiazine-4,4-dion
SpectraBase Compound ID IyQ4MUJ9aSm
InChI InChI=1S/C18H20N2O2S/c1-19-12-15(13-8-4-3-5-9-13)18-17(19)14-10-6-7-11-16(14)20(2)23(18,21)22/h3-11,15,17-18H,12H2,1-2H3/t15-,17?,18?/m0/s1
InChIKey ASWVCPHNOFCLQP-ZLPCBKJTSA-N
Mol Weight 328.43 g/mol
Molecular Formula C18H20N2O2S
Exact Mass 328.124549 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9xKjxWZu0MZ
Name (3R)-1,5-Dimethyl-3-phenyl-1,2,3,3a,5,9b-hexahydrobenzo[c]pyrrolo[2,3-e][1,2]thiazine-4,4-dion
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20N2O2S
InChI InChI=1S/C18H20N2O2S/c1-19-12-15(13-8-4-3-5-9-13)18-17(19)14-10-6-7-11-16(14)20(2)23(18,21)22/h3-11,15,17-18H,12H2,1-2H3/t15-,17?,18?/m0/s1
InChIKey ASWVCPHNOFCLQP-ZLPCBKJTSA-N
Instrument Name Agilent technologies HP 5937
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2024
Molecular Weight 328.430 g/mol
Quality 61
SMILES C1N(C2C([C@@]1(C1=CC=CC=C1)[H])S(N(C1=C2C=CC=C1)C)(=O)=O)C
SPLASH splash10-007o-0920000000-1a351b6e057128447136
Source of Spectrum Y-52-1652-5a (DOI: 10.1002/jhet.2024)
Wiley ID 1902559