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2-Methylallyl benzoate

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

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 IOii2gMlNO3
Name 2-Methylallyl benzoate
CAS Registry Number 829-53-8
Copyright Copyright © 2020-2025 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
Literature Reference DOI 10.1021/ol301563g
Molecular Weight 176.215 g/mol
SMILES c1(ccccc1)C(=O)OCC(=C)C
SPLASH splash10-0a4i-3900000000-6ee692ef1e10b3432606
Source of Spectrum A1-14-3716/SMS12-3v
Synonyms 2-Methylprop-2-enyl benzoate Benzoic acid 2-methylallyl ester Benzoic acid 2-methylprop-2-enyl ester
Wiley ID 1750382