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2-Methylallyl benzoate
SpectraBase Compound ID 149vRLrsxhx
InChI InChI=1S/C11H12O2/c1-9(2)8-13-11(12)10-6-4-3-5-7-10/h3-7H,1,8H2,2H3
InChIKey LQLOHAJUXSDIGF-UHFFFAOYSA-N
Mol Weight 176.21 g/mol
Molecular Formula C11H12O2
Exact Mass 176.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1oTZmSkcEO7
Name 2-Methylallyl benzoate
Alternate Name(s) 2-Methylprop-2-enyl benzoate Benzoic acid 2-methylallyl ester Benzoic acid 2-methylprop-2-enyl ester
CAS Registry Number 829-53-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O2
InChI InChI=1S/C11H12O2/c1-9(2)8-13-11(12)10-6-4-3-5-7-10/h3-7H,1,8H2,2H3
InChIKey LQLOHAJUXSDIGF-UHFFFAOYSA-N
Molecular Weight 176.215 g/mol
SMILES CC(COC(=O)c1ccccc1)=C
SPLASH splash10-0a4i-4900000000-810215ddcb0148ff888e
Source of Spectrum AC-65-2335-22
Wiley ID 1172355