Chem
J-GLOBAL ID：201207011838893969   Nikkaji number：J3.079.495H

(S)-3-[(1E)-4-Oxopentylidene]-5β-(2-methyl-3-bromo-1-propenyl)-4,5-dihydro-2(3H)-furanone

(3E,5S)-5-(3-ブロモ-2-メチルプロパ-1-エン-1-イル)-3-(4-オキソペンチリデン)オキソラン-2-オン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C13H17BrO3
Molecular formula furigana： C13-H17-BR-O3
Molecular weight： 301.180
InChI： InChI=1S/C13H17BrO3/c1-9(8-14)6-12-7-11(13(16)17-12)5-3-4-10(2)15/h5-6,12H,3-4,7-8H2,1-2H3/b9-6?,11-5+/t12-/m1/s1
InChI key： NEVQVJPKCNMOTR-XRJVOOAWSA-N
SMILES： CC(=O)CC/C=C/1\C[C@H](OC1=O)C=C(C)CBr
Systematic name  (3)：
  • (S)-3-[(1E)-4-オキソペンチリデン]-5β-(2-メチル-3-ブロモ-1-プロペニル)-4,5-ジヒドロ-2(3H)-フラノン
  • (3E,5S)-5-(3-ブロモ-2-メチルプロパ-1-エン-1-イル)-3-(4-オキソペンチリデン)オキソラン-2-オン
  • (3E,5S)-5-(3-bromo-2-methylprop-1-en-1-yl)-3-(4-oxopentylidene)oxolan-2-one
Other name (1)：
  • (S)-3-[(1E)-4-Oxopentylidene]-5β-(2-methyl-3-bromo-1-propenyl)-4,5-dihydro-2(3H)-furanone
Thsaurus map：
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