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Methyl strictate
SpectraBase Compound ID E6RfjfEYOms
InChI InChI=1S/C21H28O3/c1-16-8-9-17(2)21(3,13-10-18-11-14-24-15-18)12-6-5-7-19(16)20(22)23-4/h5-7,11,14-15,17H,1,8-10,12-13H2,2-4H3/b6-5-,19-7+/t17-,21+/m1/s1
InChIKey UQBKEKGILPGMIT-MISDPLDRSA-N
Mol Weight 328.45 g/mol
Molecular Formula C21H28O3
Exact Mass 328.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Y4PviCjGoO
Name Methyl strictate
CAS Registry Number 70387-35-8
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 328.203844759 u
Formula C21H28O3
InChI InChI=1S/C21H28O3/c1-16-8-9-17(2)21(3,13-10-18-11-14-24-15-18)12-6-5-7-19(16)20(22)23-4/h5-7,11,14-15,17H,1,8-10,12-13H2,2-4H3/b6-5-,19-7+/t17-,21+/m1/s1
InChIKey UQBKEKGILPGMIT-MISDPLDRSA-N
Molecular Weight 328.452 g/mol
Number of Peaks 50
RI1 2386
SMILES C1(\C(=C/C=C\C[C@]([C@@](CC1)(C)[H])(CCc1ccoc1)C)C(=O)OC)=C
SPLASH splash10-052f-9600000000-4e1075909a6e755cb743
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 1,3-cyclodecadiene-1-carboxylic acid, 6-(2-(3-furanyl)ethyl)-6,7-dimethyl-10-methylene-, methyl ester, (6R-(1E,3Z,6R*,7R*))-
Wiley ID LM_FFNSC3_2577