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(2S-cis)-5-(1-Hydroxy-1-methylethyl)-2-methyl-2-(4-pentenyl)cyclohexanone

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(2S-cis)-5-(1-Hydroxy-1-methylethyl)-2-methyl-2-(4-pentenyl)cyclohexanone
SpectraBase Compound ID 7d2RFowxW8y
InChI InChI=1S/C15H26O2/c1-5-6-7-9-15(4)10-8-12(11-13(15)16)14(2,3)17/h5,12,17H,1,6-11H2,2-4H3/t12-,15+/m1/s1
InChIKey DDHCGJOJXJVKOD-DOMZBBRYSA-N
Mol Weight 238.37 g/mol
Molecular Formula C15H26O2
Exact Mass 238.19328 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GG41hmEpomq
Name (2S-cis)-5-(1-Hydroxy-1-methylethyl)-2-methyl-2-(4-pentenyl)cyclohexanone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 238.193280075 u
Formula C15H26O2
InChI InChI=1S/C15H26O2/c1-5-6-7-9-15(4)10-8-12(11-13(15)16)14(2,3)17/h5,12,17H,1,6-11H2,2-4H3/t12-,15+/m1/s1
InChIKey DDHCGJOJXJVKOD-DOMZBBRYSA-N
Molecular Weight 238.371 g/mol
SMILES C1([C@](CC[C@](C1)(C(O)(C)C)[H])(CCCC=C)C)=O