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propionic acid [(1R*,2S*)-1-methyl-2-((R*)-1-phenylethyl)cyclopropyl)]methyl
SpectraBase Compound ID J3kPJwym5L3
InChI InChI=1S/C16H22O2/c1-4-15(17)18-11-16(3)10-14(16)12(2)13-8-6-5-7-9-13/h5-9,12,14H,4,10-11H2,1-3H3/t12-,14-,16-/m0/s1
InChIKey ZAJLHWSQAIBSJP-NOLJZWGESA-N
Mol Weight 246.35 g/mol
Molecular Formula C16H22O2
Exact Mass 246.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7IQ2P9L3Nh2
Name propionic acid [(1R*,2S*)-1-methyl-2-((R*)-1-phenylethyl)cyclopropyl)]methyl
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O2
InChI InChI=1S/C16H22O2/c1-4-15(17)18-11-16(3)10-14(16)12(2)13-8-6-5-7-9-13/h5-9,12,14H,4,10-11H2,1-3H3/t12-,14-,16-/m0/s1
InChIKey ZAJLHWSQAIBSJP-NOLJZWGESA-N
Ionization Type EI
Molecular Weight 246.350 g/mol
SMILES c1cccc(c1)[C@@]([C@]1([C@](COC(=O)CC)(C1)C)[H])(C)[H]
SPLASH splash10-0aor-3900000000-c2ccb70dd35550d9e500
Source of Spectrum WO2015163023A1
Wiley ID 1850684