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(+-)-cis-1-(2-Hydroxymethyl-4-cyclopentenyl)-(E)-5-(2-bromovinyl)uracil
SpectraBase Compound ID KRIj9O531zA
InChI InChI=1S/C12H13BrN2O3/c13-5-4-8-6-15(12(18)14-11(8)17)10-3-1-2-9(10)7-16/h1,3-6,9-10,16H,2,7H2,(H,14,17,18)/b5-4+/t9-,10-/m0/s1
InChIKey WVNJZKQBSZVDPI-AWAZDUCLSA-N
Mol Weight 313.15 g/mol
Molecular Formula C12H13BrN2O3
Exact Mass 312.010955 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BJj0fXA6N1e
Name (+-)-cis-1-(2-Hydroxymethyl-4-cyclopentenyl)-(E)-5-(2-bromovinyl)uracil
Alternate Name(s) 5-[(E)-2-bromoethenyl]-1-[(1S,5R)-5-(hydroxymethyl)-2-cyclopenten-1-yl]-2,4(1H,3H)-pyrimidinedione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13BrN2O3
InChI InChI=1S/C12H13BrN2O3/c13-5-4-8-6-15(12(18)14-11(8)17)10-3-1-2-9(10)7-16/h1,3-6,9-10,16H,2,7H2,(H,14,17,18)/b5-4+/t9-,10-/m0/s1
InChIKey WVNJZKQBSZVDPI-AWAZDUCLSA-N
Molecular Weight 313.151 g/mol
SMILES N1C(C(=CN([C@@]2([C@](CO)(CC=C2)[H])[H])C1=O)\C=C\Br)=O
SPLASH splash10-01ti-9300000000-28111e05c3202e3aa564
Source of Spectrum F4-0-3977-5
Wiley ID 1621100