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4-(1-Methylallyl)benzoic acid methyl ester
SpectraBase Compound ID I2mP4mM02l0
InChI InChI=1S/C12H14O2/c1-4-9(2)10-5-7-11(8-6-10)12(13)14-3/h4-9H,1H2,2-3H3
InChIKey IUNQJCLYXKPCLS-UHFFFAOYSA-N
Mol Weight 190.24 g/mol
Molecular Formula C12H14O2
Exact Mass 190.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3f6pPTtF7rz
Name 4-(1-Methylallyl)benzoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O2
InChI InChI=1S/C12H14O2/c1-4-9(2)10-5-7-11(8-6-10)12(13)14-3/h4-9H,1H2,2-3H3
InChIKey IUNQJCLYXKPCLS-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol902335c
Molecular Weight 190.242 g/mol
SMILES c1cc(C(C=C)C)ccc1C(OC)=O
SPLASH splash10-00lr-1900000000-0ae97081ded99d315c23
Source of Spectrum A1-11-5514/SMS10-arb19
Synonyms 4-But-3-en-2-ylbenzoic acid methyl ester Methyl 4-(but-3-en-2-yl)benzoate Methyl 4-(1-methylallyl)benzoate Methyl 4-but-3-en-2-ylbenzoate
Wiley ID 1760145