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4'-Chloro-2'(E)-butenyl 2-Propynoate
SpectraBase Compound ID AIExbAJQhCn
InChI InChI=1S/C7H7ClO2/c1-3-7(9)10-6(2)4-5-8/h1,4H,5H2,2H3/b6-4+
InChIKey PBMNOIONWFCBJR-GQCTYLIASA-N
Mol Weight 158.58 g/mol
Molecular Formula C7H7ClO2
Exact Mass 158.013457 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LFIDfVxXHV8
Name 4'-Chloro-2'(E)-butenyl 2-Propynoate
CAS Registry Number 129178-03-6
Comments Less than 3 mono-isotopic peaks
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Formula C7H7ClO2
InChI InChI=1S/C7H7ClO2/c1-3-7(9)10-6(2)4-5-8/h1,4H,5H2,2H3/b6-4+
InChIKey PBMNOIONWFCBJR-GQCTYLIASA-N
Molecular Weight 158.584 g/mol
SMILES C(C(O\C(=C\CCl)C)=O)#C
SPLASH splash10-00di-0900000000-0380375a87d7934e0aba
Source of Spectrum J-56-5124-1
Synonyms (1E)-3-chloro-1-methyl-1-propenyl propiolate
Wiley ID 1154980