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(3R)-5-Ethyl-1-methyl-3-phenyl-1,2,3,3a,5,9b-hexahydrobenzo[c]pyrrolo[2,3-e][1,2] thiazine-4,4-dioxide
SpectraBase Compound ID 2tOBoUIljh2
InChI InChI=1S/C19H22N2O2S/c1-3-21-17-12-8-7-11-15(17)18-19(24(21,22)23)16(13-20(18)2)14-9-5-4-6-10-14/h4-12,16,18-19H,3,13H2,1-2H3/t16-,18?,19?/m0/s1
InChIKey NYYHEOHBYOHDPI-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 ANSy5bjRFQv
Name (3R)-5-Ethyl-1-methyl-3-phenyl-1,2,3,3a,5,9b-hexahydrobenzo[c]pyrrolo[2,3-e][1,2] thiazine-4,4-dioxide
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/c1-3-21-17-12-8-7-11-15(17)18-19(24(21,22)23)16(13-20(18)2)14-9-5-4-6-10-14/h4-12,16,18-19H,3,13H2,1-2H3/t16-,18?,19?/m0/s1
InChIKey NYYHEOHBYOHDPI-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 48
SMILES C1N(C2C([C@@]1(C1=CC=CC=C1)[H])S(N(C1=C2C=CC=C1)CC)(=O)=O)C
SPLASH splash10-053u-0900000000-08e5b5a47ed1611ff5bb
Source of Spectrum Y-52-1652-5f (DOI: 10.1002/jhet.2024)
Wiley ID 1902564