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(3R)-1,5-8-Trimethyl-3-phenyl-1,2,3,3a,5,9b-hexahydrobenzo[c]pyrrolo[2,3-e][1,2]thiazine-4,4-dione
SpectraBase Compound ID 1wwITFCpRiU
InChI InChI=1S/C19H22N2O2S/c1-13-9-10-17-15(11-13)18-19(24(22,23)21(17)3)16(12-20(18)2)14-7-5-4-6-8-14/h4-11,16,18-19H,12H2,1-3H3/t16-,18?,19?/m0/s1
InChIKey MPAITXZZASSOIS-IVMQYODDSA-N
Mol Weight 342.46 g/mol
Molecular Formula C19H22N2O2S
Exact Mass 342.140199 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9gRgEuEVA9p
Name (3R)-1,5-8-Trimethyl-3-phenyl-1,2,3,3a,5,9b-hexahydrobenzo[c]pyrrolo[2,3-e][1,2]thiazine-4,4-dione
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 342.140199128 u
Formula C19H22N2O2S
InChI InChI=1S/C19H22N2O2S/c1-13-9-10-17-15(11-13)18-19(24(22,23)21(17)3)16(12-20(18)2)14-7-5-4-6-8-14/h4-11,16,18-19H,12H2,1-3H3/t16-,18?,19?/m0/s1
InChIKey MPAITXZZASSOIS-IVMQYODDSA-N
Instrument Name Agilent technologies HP 5937
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2024
Molecular Weight 342.457 g/mol
Quality 33
SMILES C1N(C2C([C@@]1(C1=CC=CC=C1)[H])S(N(C1=C2C=C(C=C1)C)C)(=O)=O)C
SPLASH splash10-0a5c-0930000000-7f06638af25f6773ad1c
Source of Spectrum Y-52-1652-5b (DOI: 10.1002/jhet.2024)
Wiley ID 1902560