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Ethanone, 2-[1-[(2-hydroxycyclooctyl)oxy]-5-methyl-2-(1-methylethyl)cyclohexyl]-1-phenyl-, [1R-[1.alpha.(1S*,2R*),2.alpha.,5.beta.]]-

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

Ethanone, 2-[1-[(2-hydroxycyclooctyl)oxy]-5-methyl-2-(1-methylethyl)cyclohexyl]-1-phenyl-, [1R-[1.alpha.(1S*,2R*),2.alpha.,5.beta.]]-
SpectraBase Compound ID 2dSs9r5c2e6
InChI InChI=1S/C26H40O3/c1-19(2)22-16-15-20(3)17-26(22,18-24(28)21-11-7-6-8-12-21)29-25-14-10-5-4-9-13-23(25)27/h6-8,11-12,19-20,22-23,25,27H,4-5,9-10,13-18H2,1-3H3/t20-,22+,23?,25?,26-/m1/s1
InChIKey MJJIKSACPFFUPA-XIQXVPLNSA-N
Mol Weight 400.6 g/mol
Molecular Formula C26H40O3
Exact Mass 400.297745 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JOgIX4eKMUV
Name Ethanone, 2-[1-[(2-hydroxycyclooctyl)oxy]-5-methyl-2-(1-methylethyl)cyclohexyl]-1-phenyl-, [1R-[1.alpha.(1S*,2R*),2.alpha.,5.beta.]]-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.297745145 u
Formula C26H40O3
InChI InChI=1S/C26H40O3/c1-19(2)22-16-15-20(3)17-26(22,18-24(28)21-11-7-6-8-12-21)29-25-14-10-5-4-9-13-23(25)27/h6-8,11-12,19-20,22-23,25,27H,4-5,9-10,13-18H2,1-3H3/t20-,22+,23?,25?,26-/m1/s1
InChIKey MJJIKSACPFFUPA-XIQXVPLNSA-N
Molecular Weight 400.603 g/mol
SMILES [C@]1(CC(=O)C2=CC=CC=C2)(OC2C(O)CCCCCC2)[C@@](CC[C@](C1)(C)[H])(C(C)C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.868113