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2,7-Di-tert-butyl-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one
SpectraBase Compound ID FqJR2Crk2h3
InChI InChI=1S/C18H26N2OS/c1-17(2,3)10-7-8-11-12(9-10)22-15-13(11)14(21)19-16(20-15)18(4,5)6/h10H,7-9H2,1-6H3,(H,19,20,21)
InChIKey AHRBRPDOZTVILY-UHFFFAOYSA-N
Mol Weight 318.48 g/mol
Molecular Formula C18H26N2OS
Exact Mass 318.176585 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 35alZz5X9tK
Name 2,7-Di-tert-butyl-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one
Alternate Name(s) 2,7-Ditert-butyl-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one 2,7-Ditert-butyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one 2,7-Ditert-butyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
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Formula C18H26N2OS
InChI InChI=1S/C18H26N2OS/c1-17(2,3)10-7-8-11-12(9-10)22-15-13(11)14(21)19-16(20-15)18(4,5)6/h10H,7-9H2,1-6H3,(H,19,20,21)
InChIKey AHRBRPDOZTVILY-UHFFFAOYSA-N
Molecular Weight 318.479 g/mol
SMILES N1C(c2c3CCC(Cc3sc2N=C1C(C)(C)C)C(C)(C)C)=O
SPLASH splash10-00lu-8494000000-3465f511fde6650fd7d9
Wiley ID 1459609