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1-(10-Methyl-10H-phenothiazin-3-yl)ethyl butyrate
SpectraBase Compound ID nw881a3Qxe
InChI InChI=1S/C19H21NO2S/c1-4-7-19(21)22-13(2)14-10-11-16-18(12-14)23-17-9-6-5-8-15(17)20(16)3/h5-6,8-13H,4,7H2,1-3H3
InChIKey MZGMGYITJAAMGG-UHFFFAOYSA-N
Mol Weight 327.44 g/mol
Molecular Formula C19H21NO2S
Exact Mass 327.1293 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CVCMSMiJpRC
Name 1-(10-Methyl-10H-phenothiazin-3-yl)ethyl butyrate
Comments Computed using HOSE algorithm
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Exact Mass 327.129300092 u
Formula C19H21NO2S
InChI InChI=1S/C19H21NO2S/c1-4-7-19(21)22-13(2)14-10-11-16-18(12-14)23-17-9-6-5-8-15(17)20(16)3/h5-6,8-13H,4,7H2,1-3H3
InChIKey MZGMGYITJAAMGG-UHFFFAOYSA-N
Molecular Weight 327.442 g/mol
SMILES C(CCC)(=O)OC(C)C1=CC=C2N(C=3C=CC=CC3SC2=C1)C