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7-Pyrrolido[2,1-b]-2-methyl-3-(phenylthiomethyl)-2,3,4,5-tetrahydro[1,3]oxazepine-7-one
SpectraBase Compound ID DDoo7gU92h0
InChI InChI=1S/C16H21NO2S/c1-12-13(11-20-14-5-3-2-4-6-14)9-10-17-15(18)7-8-16(17)19-12/h2-6,12-13,16H,7-11H2,1H3
InChIKey IVYNBRHPUAYDCN-UHFFFAOYSA-N
Mol Weight 291.41 g/mol
Molecular Formula C16H21NO2S
Exact Mass 291.1293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7afHK4RNsjw
Name 7-Pyrrolido[2,1-b]-2-methyl-3-(phenylthiomethyl)-2,3,4,5-tetrahydro[1,3]oxazepine-7-one
Alternate Name(s) 2-Methyl-3-[(phenylsulfanyl)methyl]hexahydropyrrolo[2,1-b][1,3]oxazepin-7(8H)-one 7-Pyrrolido[2,1-b]-2-methyl-3-(phenylthiomethyl)-2,3,4,5-tetrahydro[1,3]oxazepine
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Formula C16H21NO2S
InChI InChI=1S/C16H21NO2S/c1-12-13(11-20-14-5-3-2-4-6-14)9-10-17-15(18)7-8-16(17)19-12/h2-6,12-13,16H,7-11H2,1H3
InChIKey IVYNBRHPUAYDCN-UHFFFAOYSA-N
Molecular Weight 291.409 g/mol
SMILES C12N(CCC(C(O2)C)CSc2ccccc2)C(CC1)=O
SPLASH splash10-000i-0900000000-895861205950ff04b435
Source of Spectrum F-48-5556-18
Wiley ID 1294547