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(+).delta.4'-Dehydrojurabione
SpectraBase Compound ID 1q4StunOPML
InChI InChI=1S/C16H24O3/c1-11(2)9-15(17)10-12(3)13-5-7-14(8-6-13)16(18)19-4/h7,9,12-13H,5-6,8,10H2,1-4H3/t12-,13?/m1/s1
InChIKey DEMNMQDWPCIOLA-PZORYLMUSA-N
Mol Weight 264.36 g/mol
Molecular Formula C16H24O3
Exact Mass 264.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6VUMzlp0gUk
Name Juvibione
CAS Registry Number 16060-78-9
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 264.172544630 u
Formula C16H24O3
InChI InChI=1S/C16H24O3/c1-11(2)9-15(17)10-12(3)13-5-7-14(8-6-13)16(18)19-4/h7,9,12-13H,5-6,8,10H2,1-4H3/t12-,13?/m1/s1
InChIKey DEMNMQDWPCIOLA-PZORYLMUSA-N
Molecular Weight 264.365 g/mol
Number of Peaks 50
RI1 2091
SMILES C[C@](CC(=O)C=C(C)C)(C1CCC(=CC1)C(=O)OC)[H]
SPLASH splash10-001i-9410000000-503f27ce36691b1aeb15
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 1-Cyclohexene-1-carboxylic acid, 4-[(1R)-1,5-dimethyl-3-oxo-4-hexen-1-yl]-, methyl ester, (4R)-
Wiley ID LM_FFNSC3_2624