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1,5-Benzothiazepine, 4-methoxy-2-phenyl-
SpectraBase Compound ID LKktWyNNzd8
InChI InChI=1S/C16H13NOS/c1-18-16-11-15(12-7-3-2-4-8-12)19-14-10-6-5-9-13(14)17-16/h2-11H,1H3
InChIKey VXOLHHXMOSVWDZ-UHFFFAOYSA-N
Mol Weight 267.35 g/mol
Molecular Formula C16H13NOS
Exact Mass 267.071785 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LuhKyKghLao
Name 1,5-Benzothiazepine, 4-methoxy-2-phenyl-
CAS Registry Number 104505-69-3
Comments Less than 3 mono-isotopic peaks
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Formula C16H13NOS
InChI InChI=1S/C16H13NOS/c1-18-16-11-15(12-7-3-2-4-8-12)19-14-10-6-5-9-13(14)17-16/h2-11H,1H3
InChIKey VXOLHHXMOSVWDZ-UHFFFAOYSA-N
Molecular Weight 267.346 g/mol
SMILES C1(=CC(=Nc2c(S1)cccc2)OC)c1ccccc1
SPLASH splash10-014i-0090000000-4400d08887c7afb85254
Source of Spectrum K-120-2088-3
Synonyms 4-Methoxy-2-phenyl-1,5-benzothiazepine
Wiley ID 1271236