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(Z)-5-(4-Tert-butyl-1-hydroxycyclohexyl)-3-methylpent-2-en-4-ynoic acid

View entire compound with spectra: 1 NMR

(Z)-5-(4-Tert-butyl-1-hydroxycyclohexyl)-3-methylpent-2-en-4-ynoic acid
SpectraBase Compound ID EEW0yQ3nuJe
InChI InChI=1S/C16H24O3/c1-12(11-14(17)18)5-8-16(19)9-6-13(7-10-16)15(2,3)4/h11,13,19H,6-7,9-10H2,1-4H3,(H,17,18)/b12-11+
InChIKey CZPBFYIMEVVTDA-VAWYXSNFSA-N
Mol Weight 264.36 g/mol
Molecular Formula C16H24O3
Exact Mass 264.172545 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6ScnN94p3Uq
Name (Z)-5-(4-Tert-butyl-1-hydroxycyclohexyl)-3-methylpent-2-en-4-ynoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 264.172544630 u
Formula C16H24O3
InChI InChI=1S/C16H24O3/c1-12(11-14(17)18)5-8-16(19)9-6-13(7-10-16)15(2,3)4/h11,13,19H,6-7,9-10H2,1-4H3,(H,17,18)/b12-11+
InChIKey CZPBFYIMEVVTDA-VAWYXSNFSA-N
Molecular Weight 264.365 g/mol
SMILES C1(O)(CCC(C(C)(C)C)CC1)C#C\C(=C\C(=O)O)C