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3-(1-Hydroxy-2-isopropyl-5-methylcyclohexyl)-2-propynoic acid
SpectraBase Compound ID 3CT09DOXOyn
InChI InChI=1S/C13H20O3/c1-9(2)11-5-4-10(3)8-13(11,16)7-6-12(14)15/h9-11,16H,4-5,8H2,1-3H3,(H,14,15)
InChIKey OXOVXQGXFVIAAT-UHFFFAOYSA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H20O3
Exact Mass 224.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8yRxXP8uZOu
Name 3-(1-Hydroxy-2-isopropyl-5-methylcyclohexyl)-2-propynoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-9(2)11-5-4-10(3)8-13(11,16)7-6-12(14)15/h9-11,16H,4-5,8H2,1-3H3,(H,14,15)
InChIKey OXOVXQGXFVIAAT-UHFFFAOYSA-N
Molecular Weight 224.300 g/mol
SMILES OC1(C#CC(=O)O)CC(C)CCC1C(C)C
SPLASH splash10-052f-9700000000-429cfbffee0a44f751ea
Synonyms 3-(1-hydroxy-2-isopropyl-5-methyl-cyclohexyl)prop-2-ynoic acid 3-(1-hydroxy-2-isopropyl-5-methyl-cyclohexyl)propiolic acid 3-(1-hydroxy-5-methyl-2-propan-2-ylcyclohexyl)-2-propynoic acid 3-(1-hydroxy-5-methyl-2-propan-2-ylcyclohexyl)prop-2-ynoic acid 3-(5-Methyl-1-oxidanyl-2-propan-2-yl-cyclohexyl)prop-2-ynoic acid Ppropiolic acid, 3-(1-hydroxy-2-isopropyl-5-methylcyclohexyl)-
Wiley ID 1496114