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NEOPENTYL-DIHYDROCINNAMATE
SpectraBase Compound ID L4DgBqkOGzL
InChI InChI=1S/C14H20O2/c1-14(2,3)11-16-13(15)10-9-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3
InChIKey NZEXJUWIGIYMPR-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 71XHJLN6Kgk
Name Neopentyl-.beta.-phenylpropionate
CAS Registry Number 28048-96-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O2
InChI InChI=1S/C14H20O2/c1-14(2,3)11-16-13(15)10-9-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3
InChIKey NZEXJUWIGIYMPR-UHFFFAOYSA-N
Molecular Weight 220.312 g/mol
SMILES C(CCc1ccccc1)(=O)OCC(C)(C)C
SPLASH splash10-0kml-9820000000-c543146296946a1c099f
Source of Spectrum K1-0-4375-8
Synonyms 2,2-Dimethylpropyl 3-phenylpropanoate 3-Phenylpropanoic acid 2,2-dimethylpropyl ester 3-Phenylpropionic acid neopentyl ester 3-Phenylpropionic acid, 2,2-dimethylpropyl ester Neopentyl 3-phenylpropanoate
Wiley ID 1589614