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(E)-Methyl-3-(3'-chloroprop-1'-enyl)benzoate
SpectraBase Compound ID GsKw3zB6wjW
InChI InChI=1S/C11H11ClO2/c1-14-11(13)10-6-2-4-9(8-10)5-3-7-12/h2-6,8H,7H2,1H3/b5-3+
InChIKey NYAKPNDKEYPVJP-HWKANZROSA-N
Mol Weight 210.66 g/mol
Molecular Formula C11H11ClO2
Exact Mass 210.044757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H5LLkCQ1JbD
Name (E)-Methyl-3-(3'-chloroprop-1'-enyl)benzoate
Alternate Name(s) (E)-methyl 3-(3-chloroprop-1-en-1-yl)benzoate Methyl 3-[(E)-3-chloroprop-1-enyl]benzoate Methyl 3-[(E)-3-chloranylprop-1-enyl]benzoate
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Formula C11H11ClO2
InChI InChI=1S/C11H11ClO2/c1-14-11(13)10-6-2-4-9(8-10)5-3-7-12/h2-6,8H,7H2,1H3/b5-3+
InChIKey NYAKPNDKEYPVJP-HWKANZROSA-N
Literature Reference DOI 10.1002/adsc.201000213
Molecular Weight 210.660 g/mol
SMILES C(c1cc(ccc1)\C=C\CCl)(=O)OC
SPLASH splash10-014i-3900000000-3ff802427ca208db11d1
Source of Spectrum ASC-352-2023/SM19-26
Wiley ID 1763911