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5a-Hydroxy-2-phenyl-5a,6,7,8,9,9a-hexahydro-4H-pyrimido[2,1-b]benzothiazol-4-one
SpectraBase Compound ID EwhJ2oHHPa8
InChI InChI=1S/C16H16N2O2S/c19-14-10-12(11-6-2-1-3-7-11)17-15-18(14)16(20)9-5-4-8-13(16)21-15/h1-3,6-7,10,13,20H,4-5,8-9H2
InChIKey AGYUIYGHESVJNG-UHFFFAOYSA-N
Mol Weight 300.38 g/mol
Molecular Formula C16H16N2O2S
Exact Mass 300.093249 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID p9HexsTxNt
Name 5a-Hydroxy-2-phenyl-5a,6,7,8,9,9a-hexahydro-4H-pyrimido[2,1-b]benzothiazol-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16N2O2S
InChI InChI=1S/C16H16N2O2S/c19-14-10-12(11-6-2-1-3-7-11)17-15-18(14)16(20)9-5-4-8-13(16)21-15/h1-3,6-7,10,13,20H,4-5,8-9H2
InChIKey AGYUIYGHESVJNG-UHFFFAOYSA-N
Molecular Weight 300.376 g/mol
SMILES OC12N3C(SC2CCCC1)=NC(=CC3=O)c1ccccc1
SPLASH splash10-0zfr-0095000000-4aa7d722db0f928225bb
Source of Spectrum U-1994-180-16
Synonyms 5a-hydroxy-2-phenyl-5a,6,7,8,9,9a-hexahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
Wiley ID 765693