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isobutanoic acid [(1R*,2S*)-1-methyl-2-((R*)-1-phenylethyl)cyclopropyl)]methyl
SpectraBase Compound ID 9glRVBNA7Cs
InChI InChI=1S/C17H24O2/c1-12(2)16(18)19-11-17(4)10-15(17)13(3)14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3/t13-,15-,17-/m0/s1
InChIKey UMYHFGWUGBJEIG-QRTARXTBSA-N
Mol Weight 260.38 g/mol
Molecular Formula C17H24O2
Exact Mass 260.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DL1iuQdN6lR
Name isobutanoic acid [(1R*,2S*)-1-methyl-2-((R*)-1-phenylethyl)cyclopropyl)]methyl
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24O2
InChI InChI=1S/C17H24O2/c1-12(2)16(18)19-11-17(4)10-15(17)13(3)14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3/t13-,15-,17-/m0/s1
InChIKey UMYHFGWUGBJEIG-QRTARXTBSA-N
Ionization Type EI
Molecular Weight 260.377 g/mol
SMILES c1cccc(c1)[C@@]([C@]1([C@](COC(=O)C(C)C)(C1)C)[H])(C)[H]
SPLASH splash10-06dl-3900000000-84e9a707d1747d11141f
Source of Spectrum WO2015163023A1
Wiley ID 1850686