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(+-)-3-Benzoyl-1-[(1RS,2SR,5SR)-6-thiabicyclo[3.1.0]hex-2-yl]pyrimidine-2,4(1H,3H)-dione
SpectraBase Compound ID MFwhKsIiJm
InChI InChI=1S/C16H14N2O3S/c19-13-8-9-17(11-6-7-12-14(11)22-12)16(21)18(13)15(20)10-4-2-1-3-5-10/h1-5,8-9,11-12,14H,6-7H2/t11-,12-,14+/m0/s1
InChIKey NDSFWCUFVQUNNK-SGMGOOAPSA-N
Mol Weight 314.36 g/mol
Molecular Formula C16H14N2O3S
Exact Mass 314.072513 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DGYFm0PMezc
Name (+-)-3-Benzoyl-1-[(1RS,2SR,5SR)-6-thiabicyclo[3.1.0]hex-2-yl]pyrimidine-2,4(1H,3H)-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14N2O3S
InChI InChI=1S/C16H14N2O3S/c19-13-8-9-17(11-6-7-12-14(11)22-12)16(21)18(13)15(20)10-4-2-1-3-5-10/h1-5,8-9,11-12,14H,6-7H2/t11-,12-,14+/m0/s1
InChIKey NDSFWCUFVQUNNK-SGMGOOAPSA-N
Molecular Weight 314.359 g/mol
SMILES C1(N(C(C=CN1[C@@]1([C@]2(S[C@]2(CC1)[H])[H])[H])=O)C(=O)c1ccccc1)=O
SPLASH splash10-0ufr-4921000000-dd6d476c6f9ed0b99a0c
Source of Spectrum K1-0-4481-36
Synonyms 3-(Phenylcarbonyl)-1-[(1S,4S,5R)-6-thiabicyclo[3.1.0]hexan-4-yl]pyrimidine-2,4-dione 3-Benzoyl-1-[(1R,2S,5S)-6-thiabicyclo[3.1.0]hex-2-yl]-2,4(1H,3H)-pyrimidinedione 3-Benzoyl-1-[(1S,4S,5R)-6-thiabicyclo[3.1.0]hexan-4-yl]pyrimidine-2,4-dione 3-Benzoyl-1-[(1S,4S,5R)-6-thiabicyclo[3.1.0]hexan-4-yl]pyrimidine-2,4-quinone 3-Benzoyl-1-[(1R,2S,5S)-6-thiabicyclo[3.1.0]hexan-2-yl]pyrimidine-2,4-dione 3-(Phenylcarbonyl)-1-[(1R,2S,5S)-6-thiabicyclo[3.1.0]hexan-2-yl]pyrimidine-2,4-dione
Wiley ID 1589543