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(2S,3S)-2-methyl-3-phenylbutanoic acid

View entire compound with spectra: 1 MS (GC)

(2S,3S)-2-methyl-3-phenylbutanoic acid
SpectraBase Compound ID LSFkqfpvMsR
InChI InChI=1S/C11H14O2/c1-8(9(2)11(12)13)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,12,13)/t8-,9-/m0/s1
InChIKey NRYIIIVJCVRSSH-IUCAKERBSA-N
Mol Weight 178.23 g/mol
Molecular Formula C11H14O2
Exact Mass 178.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2saR2fduILH
Name (2S,3S)-2-methyl-3-phenylbutanoic acid
CAS Registry Number 121651-46-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O2
InChI InChI=1S/C11H14O2/c1-8(9(2)11(12)13)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,12,13)/t8-,9-/m0/s1
InChIKey NRYIIIVJCVRSSH-IUCAKERBSA-N
Molecular Weight 178.231 g/mol
SMILES OC([C@]([C@@](c1ccccc1)(C)[H])(C)[H])=O
SPLASH splash10-0a4i-1900000000-0315b7bb45f274479fd5
Source of Spectrum F-45-486-11
Wiley ID 1174306