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3-(1-NAPHTHYL)-2-THIOXO-1,3-THIAZEPAN-4-ONE
SpectraBase Compound ID 6LMwS9OemDG
InChI InChI=1S/C15H13NOS2/c17-14-9-4-10-19-15(18)16(14)13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8H,4,9-10H2
InChIKey PUFRLJMZCZNDEL-UHFFFAOYSA-N
Mol Weight 287.4 g/mol
Molecular Formula C15H13NOS2
Exact Mass 287.043856 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CQvMEyiTPxc
Name 3-(1'-Naphthyl)-2-thioxo-1,3-thiazepan-4-one
Alternate Name(s) 3-(1-naphthyl)-2-thioxotetrahydro-1,3-thiazepin-4(5H)-one 3-(1-naphthalenyl)-2-sulfanylidene-1,3-thiazepan-4-one 3-naphthalen-1-yl-2-sulfanylidene-1,3-thiazepan-4-one
Comments Less than 3 mono-isotopic peaks
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Formula C15H13NOS2
InChI InChI=1S/C15H13NOS2/c17-14-9-4-10-19-15(18)16(14)13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8H,4,9-10H2
InChIKey PUFRLJMZCZNDEL-UHFFFAOYSA-N
Molecular Weight 287.395 g/mol
SMILES C1(SCCCC(N1c1cccc2ccccc12)=O)=S
SPLASH splash10-000i-0910000000-64fc40794f0d43568fa1
Source of Spectrum Y-36-1172-6
Wiley ID 762441