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PROPENOIC ACID, 3-(1-HYDROXY-2-ISOPROPYL-5-METHYLCYCLOHEXYL)-
SpectraBase Compound ID 2fwDuYtwxdu
InChI InChI=1S/C7H14O.C3H2O2.C3H8/c1-6-3-2-4-7(8)5-6;1-2-3(4)5;1-3-2/h6-8H,2-5H2,1H3;1H,(H,4,5);3H2,1-2H3
InChIKey YPFCJIKDOYLEIS-UHFFFAOYSA-N
Mol Weight 228.33 g/mol
Molecular Formula C13H24O3
Exact Mass 228.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AjG7paCEZEp
Name PROPENOIC ACID, 3-(1-HYDROXY-2-ISOPROPYL-5-METHYLCYCLOHEXYL)-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C7H14O.C3H2O2.C3H8/c1-6-3-2-4-7(8)5-6;1-2-3(4)5;1-3-2/h6-8H,2-5H2,1H3;1H,(H,4,5);3H2,1-2H3
InChIKey YPFCJIKDOYLEIS-UHFFFAOYSA-N
Instrument Name 311A
Molecular Weight 228.1719
SMILES OC(=O)C#C.OC1CCCC(C1)C.CCC
SPLASH splash10-052f-9700000000-71ff32db909b76f159bb
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany