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3-Phenylpropyl 2,2-dimethylpropanoate

View entire compound with spectra: 1 MS (GC)

3-Phenylpropyl 2,2-dimethylpropanoate
SpectraBase Compound ID JncD4xqGhzk
InChI InChI=1S/C14H20O2/c1-14(2,3)13(15)16-11-7-10-12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3
InChIKey VTNMQSJJYJYTPR-UHFFFAOYSA-N
Mol Weight 220.31 g/mol
Molecular Formula C14H20O2
Exact Mass 220.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5DXVCIL4WoK
Name 3-Phenylpropyl 2,2-dimethylpropanoate
Alternate Name(s) 2,2-dimethylpropanoic acid 3-phenylpropyl ester 2,2-dimethylpropionic acid 3-phenylpropyl ester 3-Phenylpropyl pivalate Pivalic acid, 3-phenylpropyl ester
CAS Registry Number 87228-44-2
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O2
InChI InChI=1S/C14H20O2/c1-14(2,3)13(15)16-11-7-10-12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3
InChIKey VTNMQSJJYJYTPR-UHFFFAOYSA-N
Molecular Weight 220.312 g/mol
SMILES C(C(C)(C)C)(=O)OCCCc1ccccc1
SPLASH splash10-014i-0900000000-62e77bef279e53c47111
Source of Spectrum F-55-12952-38
Wiley ID 839749