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(3S)-n-Butyl .beta.-butyryloxy-.beta.-phenylpropionate
SpectraBase Compound ID E6gdnxBILoC
InChI InChI=1S/C17H24O4/c1-3-5-12-20-17(19)13-15(21-16(18)9-4-2)14-10-7-6-8-11-14/h6-8,10-11,15H,3-5,9,12-13H2,1-2H3/t15-/m0/s1
InChIKey OTCANGYBWBLUAR-HNNXBMFYSA-N
Mol Weight 292.38 g/mol
Molecular Formula C17H24O4
Exact Mass 292.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2KqT7jgdCIU
Name (3S)-n-Butyl .beta.-butyryloxy-.beta.-phenylpropionate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24O4
InChI InChI=1S/C17H24O4/c1-3-5-12-20-17(19)13-15(21-16(18)9-4-2)14-10-7-6-8-11-14/h6-8,10-11,15H,3-5,9,12-13H2,1-2H3/t15-/m0/s1
InChIKey OTCANGYBWBLUAR-HNNXBMFYSA-N
Molecular Weight 292.375 g/mol
SMILES C([C@](OC(=O)CCC)(c1ccccc1)[H])C(=O)OCCCC
SPLASH splash10-0a4i-4590000000-19e66704606fc2a7b8ae
Source of Spectrum KC-61-2178-5
Synonyms (1S)-3-butoxy-3-oxo-1-phenylpropyl butyrate
Wiley ID 1627902