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(3S)-Isopropyl .beta.-butyryloxy-.beta.-phenylpropionate
SpectraBase Compound ID 1sqmSeRWK5I
InChI InChI=1S/C16H22O4/c1-4-8-15(17)20-14(11-16(18)19-12(2)3)13-9-6-5-7-10-13/h5-7,9-10,12,14H,4,8,11H2,1-3H3/t14-/m0/s1
InChIKey FECPYGRDYTZJNX-AWEZNQCLSA-N
Mol Weight 278.35 g/mol
Molecular Formula C16H22O4
Exact Mass 278.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID vjccktPxtk
Name (3S)-Isopropyl .beta.-butyryloxy-.beta.-phenylpropionate
Alternate Name(s) (1S)-3-isopropoxy-3-oxo-1-phenylpropyl butyrate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O4
InChI InChI=1S/C16H22O4/c1-4-8-15(17)20-14(11-16(18)19-12(2)3)13-9-6-5-7-10-13/h5-7,9-10,12,14H,4,8,11H2,1-3H3/t14-/m0/s1
InChIKey FECPYGRDYTZJNX-AWEZNQCLSA-N
Molecular Weight 278.348 g/mol
SMILES C(C(=O)OC(C)C)[C@](OC(=O)CCC)(c1ccccc1)[H]
SPLASH splash10-0avi-4920000000-6cb6f730f0fa008536c6
Source of Spectrum KC-61-2177-5
Wiley ID 1627906