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(1R,2R)-2-octylcyclopropyl-1-carboxylic acid
SpectraBase Compound ID E02lWh9CjQO
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-GHMZBOCLSA-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 HDytpbpb0Zb
Name (+ or -)-trans-2-octylcyclopropyl-1-carboxylic acid
Carrier Gas Helium (1 ml/min)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 198.161979946 u
Formula C12H22O2
GC Column HP-1 or varian CP7723, CP-WAX 52 CB (50 m x 0.2 mm or 50 m x 0.25 mm, film thickness 0.33 micrometer or 0.2 micrometer)
GC Oven Program Oven temp 280oC or 240oC
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-GHMZBOCLSA-N
Inlet Type Split
Instrument Name Agilent 6890N-5973N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201605242
Molecular Weight 198.306 g/mol
Quality 290
SMILES OC([C@]1([C@](CCCCCCCC)(C1)[H])[H])=O
SPLASH splash10-059x-9000000000-22035ff61cface7bac4c
Source of Spectrum ACI-55-SM16-(+ or -)-1 (DOI: 10.1002/anie.201605242)
Wiley ID 1908173