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(+-)-1-[(2'R*,3'S*)-2'-(Phenylmethyl)thio-3'-hydroxyhexyl]uracil
SpectraBase Compound ID 8ujekITiwU8
InChI InChI=1S/C17H22N2O3S/c1-2-6-14(20)15(23-12-13-7-4-3-5-8-13)11-19-10-9-16(21)18-17(19)22/h3-5,7-10,14-15,20H,2,6,11-12H2,1H3,(H,18,21,22)/t14-,15+/m0/s1
InChIKey QIQDDVLZLWAXRB-LSDHHAIUSA-N
Mol Weight 334.43 g/mol
Molecular Formula C17H22N2O3S
Exact Mass 334.135114 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KIFX0NXREeK
Name (+-)-1-[(2'R*,3'S*)-2'-(Phenylmethyl)thio-3'-hydroxyhexyl]uracil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22N2O3S
InChI InChI=1S/C17H22N2O3S/c1-2-6-14(20)15(23-12-13-7-4-3-5-8-13)11-19-10-9-16(21)18-17(19)22/h3-5,7-10,14-15,20H,2,6,11-12H2,1H3,(H,18,21,22)/t14-,15+/m0/s1
InChIKey QIQDDVLZLWAXRB-LSDHHAIUSA-N
Molecular Weight 334.434 g/mol
SMILES N1C(C=CN(C[C@]([C@@](O)(CCC)[H])(SCc2ccccc2)[H])C1=O)=O
SPLASH splash10-0006-9500000000-5b1b1d9318ea7002b96c
Source of Spectrum F-52-3622-7
Synonyms (+-)-1-[(2'R*,3'S*)-2'-(Phenylmethyl)thio-3'-hydrohexyl]uracil 1-[(2R,3S)-2-(benzylsulfanyl)-3-hydroxyhexyl]-2,4(1H,3H)-pyrimidinedione
Wiley ID 795696