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(R)-(+)-Acetic Acid 1-Propyl-3-oxo-3-phenyl-propyl Ester
SpectraBase Compound ID LIATU2cWmjs
InChI InChI=1S/C14H18O3/c1-3-7-13(17-11(2)15)10-14(16)12-8-5-4-6-9-12/h4-6,8-9,13H,3,7,10H2,1-2H3/t13-/m1/s1
InChIKey SHMLXWJCCQQEOW-CYBMUJFWSA-N
Mol Weight 234.29 g/mol
Molecular Formula C14H18O3
Exact Mass 234.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DnplzIQTOUZ
Name (R)-(+)-Acetic Acid 1-Propyl-3-oxo-3-phenyl-propyl Ester
Classification Alkyl-phenylketones
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 234.125594437 u
Formula C14H18O3
InChI InChI=1S/C14H18O3/c1-3-7-13(17-11(2)15)10-14(16)12-8-5-4-6-9-12/h4-6,8-9,13H,3,7,10H2,1-2H3/t13-/m1/s1
InChIKey SHMLXWJCCQQEOW-CYBMUJFWSA-N
Molecular Weight 234.295 g/mol
Number of Peaks 6
SMILES C(C)(=O)O[C@@](CC(c1ccccc1)=O)(CCC)[H]
SPLASH splash10-0a4i-1900000000-4e319439450f1bc70ec2
Source of Spectrum FF-19-384-384_4 (DOI: 10.1002/ffj.1372)
Synonyms (R)-1-oxo-1-phenylhexan-3-yl acetate
Wiley ID 1775369