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Propanoic acid, 3-hydroxy-3-phenyl-, t-butyl ester

View entire compound with spectra: 4 MS (GC)

Propanoic acid, 3-hydroxy-3-phenyl-, t-butyl ester
SpectraBase Compound ID H9IcBByAtdB
InChI InChI=1S/C13H18O3/c1-13(2,3)16-12(15)9-11(14)10-7-5-4-6-8-10/h4-8,11,14H,9H2,1-3H3
InChIKey VROUOYSBYGPRJC-UHFFFAOYSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1IT0vPkathk
Name Propanoic acid, 3-hydroxy-3-phenyl-, t-butyl ester
CAS Registry Number 5397-27-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-13(2,3)16-12(15)9-11(14)10-7-5-4-6-8-10/h4-8,11,14H,9H2,1-3H3
InChIKey VROUOYSBYGPRJC-UHFFFAOYSA-N
Molecular Weight 222.284 g/mol
SMILES OC(c1ccccc1)CC(=O)OC(C)(C)C
SPLASH splash10-0a4i-9700000000-50ded6ccd93c1a6aeee7
Synonyms 3-Hydroxy-3-phenyl-propionic acid tert-butyl ester 3-Hydroxy-3-phenylpropanoic acid tert-butyl ester tert-Butyl 3-hydroxy-3-phenyl-propanoate tert-Butyl 3-oxidanyl-3-phenyl-propanoate
Wiley ID 1492085