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4,6,7,8-Tetrahydro-5H-thieno[3,2-d]azepin-5-one
SpectraBase Compound ID JUqZn0oOdJq
InChI InChI=1S/C8H9NOS/c10-8-5-6-2-4-11-7(6)1-3-9-8/h2,4H,1,3,5H2,(H,9,10)
InChIKey LAWVTBBBSZPVHP-UHFFFAOYSA-N
Mol Weight 167.23 g/mol
Molecular Formula C8H9NOS
Exact Mass 167.040485 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IWKVbsW6dFt
Name 4,6,7,8-Tetrahydro-5H-thieno[3,2-d]azepin-5-one
Alternate Name(s) 4,6,7,8-tetrahydrothieno[2,3-d]azepin-5-one
Comments Less than 3 mono-isotopic peaks
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Formula C8H9NOS
InChI InChI=1S/C8H9NOS/c10-8-5-6-2-4-11-7(6)1-3-9-8/h2,4H,1,3,5H2,(H,9,10)
InChIKey LAWVTBBBSZPVHP-UHFFFAOYSA-N
Molecular Weight 167.226 g/mol
SMILES N1CCc2c(CC1=O)ccs2
SPLASH splash10-03xr-0900000000-a029660e2989d07d5ffb
Source of Spectrum F4-42-3351-7
Wiley ID 1674834