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2-isopropyloct-5-ynoic acid
SpectraBase Compound ID 2pTjnFwjE7
InChI InChI=1S/C11H18O2/c1-4-5-6-7-8-10(9(2)3)11(12)13/h9-10H,4,7-8H2,1-3H3,(H,12,13)
InChIKey GEFCEXWUKDJIBL-UHFFFAOYSA-N
Mol Weight 182.26 g/mol
Molecular Formula C11H18O2
Exact Mass 182.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 40PAqvCbmMC
Name 2-isopropyloct-5-ynoic acid
Alternate Name(s) 2-Propan-2-yl-5-octynoic acid 2-Propan-2-yloct-5-ynoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O2
InChI InChI=1S/C11H18O2/c1-4-5-6-7-8-10(9(2)3)11(12)13/h9-10H,4,7-8H2,1-3H3,(H,12,13)
InChIKey GEFCEXWUKDJIBL-UHFFFAOYSA-N
Molecular Weight 182.263 g/mol
SMILES OC(C(C(C)C)CCC#CCC)=O
SPLASH splash10-0fts-9300000000-a11a10199153787551bf
Source of Spectrum J-58-1908-42
Wiley ID 1178909