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Ethyl 2-allyl-4-benzyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylate isomer
SpectraBase Compound ID HDtS7gZfreO
InChI InChI=1S/C21H21NO3S/c1-3-14-21(20(24)25-4-2)19(23)22(15-16-10-6-5-7-11-16)17-12-8-9-13-18(17)26-21/h3,5-13H,1,4,14-15H2,2H3
InChIKey PMIRMSBTXYODOB-UHFFFAOYSA-N
Mol Weight 367.46 g/mol
Molecular Formula C21H21NO3S
Exact Mass 367.124215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ZZVVn1vZw
Name Ethyl 2-allyl-4-benzyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylate isomer
Alternate Name(s) Ethyl 2-allyl-4-benzyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylate
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Formula C21H21NO3S
InChI InChI=1S/C21H21NO3S/c1-3-14-21(20(24)25-4-2)19(23)22(15-16-10-6-5-7-11-16)17-12-8-9-13-18(17)26-21/h3,5-13H,1,4,14-15H2,2H3
InChIKey PMIRMSBTXYODOB-UHFFFAOYSA-N
Molecular Weight 367.463 g/mol
SMILES C1(C(N(Cc2ccccc2)c2c(S1)cccc2)=O)(C(=O)OCC)CC=C
SPLASH splash10-00kf-4049000000-b4064446f87cc600f108
Source of Spectrum F-54-9697-7b
Wiley ID 808181