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 |