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 |