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Benzoic acid, 4-(2-methylbutyl)-, 4-propoxyphenyl ester
SpectraBase Compound ID 8g8Alau8SLN
InChI InChI=1S/C21H26O3/c1-4-14-23-19-10-12-20(13-11-19)24-21(22)18-8-6-17(7-9-18)15-16(3)5-2/h6-13,16H,4-5,14-15H2,1-3H3
InChIKey ALINTPAWQCZCBC-UHFFFAOYSA-N
Mol Weight 326.44 g/mol
Molecular Formula C21H26O3
Exact Mass 326.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HyzgZtDgKvw
Name Benzoic acid, 4-(2-methylbutyl)-, 4-propoxyphenyl ester
Alternate Name(s) 4-Propoxyphenyl 4-(2-methylbutyl)benzoate (4-propoxyphenyl) 4-(2-methylbutyl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O3
InChI InChI=1S/C21H26O3/c1-4-14-23-19-10-12-20(13-11-19)24-21(22)18-8-6-17(7-9-18)15-16(3)5-2/h6-13,16H,4-5,14-15H2,1-3H3
InChIKey ALINTPAWQCZCBC-UHFFFAOYSA-N
Molecular Weight 326.436 g/mol
SMILES CCCOc1ccc(OC(=O)c2ccc(CC(C)CC)cc2)cc1
SPLASH splash10-004i-3900000000-ff5e10381815def3eda0
Source of Spectrum JX-2015-3-444
Wiley ID 1724010