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(4-hydroxy-1-methyl-butyl) benzoate

View entire compound with spectra: 1 MS (GC)

(4-hydroxy-1-methyl-butyl) benzoate
SpectraBase Compound ID 6cIZ84cbwcK
InChI InChI=1S/C12H16O3/c1-10(6-5-9-13)15-12(14)11-7-3-2-4-8-11/h2-4,7-8,10,13H,5-6,9H2,1H3
InChIKey ZNYWSMPIBXBDIE-UHFFFAOYSA-N
Mol Weight 208.26 g/mol
Molecular Formula C12H16O3
Exact Mass 208.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7LwHJ9J3cSc
Name (4-hydroxy-1-methyl-butyl) benzoate
Alternate Name(s) 5-Hydroxypentan-2-yl benzoate 5-Oxidanylpentan-2-yl benzoate benzoic acid (4-hydroxy-1-methyl-butyl) ester benzoic acid 5-hydroxypentan-2-yl ester
CAS Registry Number 128733-38-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O3
InChI InChI=1S/C12H16O3/c1-10(6-5-9-13)15-12(14)11-7-3-2-4-8-11/h2-4,7-8,10,13H,5-6,9H2,1H3
InChIKey ZNYWSMPIBXBDIE-UHFFFAOYSA-N
Molecular Weight 208.257 g/mol
SMILES OCCCC(OC(=O)c1ccccc1)C
SPLASH splash10-0ab9-3900000000-a29fa5ce0b2a9d87b01a
Source of Spectrum J-55-5137-0
Wiley ID 1206948