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(1S,2R)-2-octylcyclopropyl-1-carboxylic acid

View entire compound with spectra: 2 MS (GC)

(1S,2R)-2-octylcyclopropyl-1-carboxylic acid
SpectraBase Compound ID JJYIPCH3TlN
InChI InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-10-9-11(10)12(13)14/h10-11H,2-9H2,1H3,(H,13,14)/t10-,11+/m1/s1
InChIKey FLZRNGWKTVAXBN-MNOVXSKESA-N
Mol Weight 198.31 g/mol
Molecular Formula C12H22O2
Exact Mass 198.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CQsGPz6SDvt
Name (1S,2R)-2-octylcyclopropyl-1-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O2
InChI InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-10-9-11(10)12(13)14/h10-11H,2-9H2,1H3,(H,13,14)/t10-,11+/m1/s1
InChIKey FLZRNGWKTVAXBN-MNOVXSKESA-N
Ionization Type EI
Molecular Weight 198.306 g/mol
SMILES OC([C@@]1([C@@](C1)(CCCCCCCC)[H])[H])=O
SPLASH splash10-059x-9000000000-79db4762e7509a145124
Source of Spectrum WO2016079431A1
Wiley ID 1851129