| SpectraBase Spectrum ID |
BzbleLI81Fy |
| Name |
Isomyristicin |
| CAS Registry Number |
18312-21-5 |
| 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 |
192.078644243 u |
| Formula |
C11H12O3 |
| InChI |
InChI=1S/C11H12O3/c1-3-4-8-5-9(12-2)11-10(6-8)13-7-14-11/h3-6H,7H2,1-2H3/b4-3+ |
| InChIKey |
DHUZAAUGHUHIDS-ONEGZZNKSA-N |
| Molecular Weight |
192.214 g/mol |
| Number of Peaks |
34 |
| RI1 |
1616 |
| SMILES |
c12c(OCO2)cc(cc1OC)\C=C\C |
| SPLASH |
splash10-0006-9800000000-d20ee41d449276a7ceed |
| 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-Benzodioxole, 4-methoxy-6-(1E)-1-propen-1-yl- |
| Wiley ID |
LM_FFNSC3_2630 |
