| SpectraBase Spectrum ID |
36BO1DBqPMe |
| Name |
Mefranal |
| CAS Registry Number |
55066-49-4 |
| Copyright |
Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
176.120115134 u |
| Formula |
C12H16O |
| InChI |
InChI=1S/C12H16O/c1-11(9-10-13)7-8-12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3 |
| InChIKey |
DFJMIMVMOIFPQG-UHFFFAOYSA-N |
| Molecular Weight |
176.259 g/mol |
| Number of Peaks |
50 |
| RI1 |
1425 |
| RI5 |
1394 |
| SMILES |
C(=O)CC(CCc1ccccc1)C |
| SPLASH |
splash10-0006-9400000000-d35310ecc63d5a688ca9 |
| 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 |
Butanoic acid, 3-methyl-, (2E)-2-hexen-1-yl ester |
| Wiley ID |
LM_FFNSC3_2397 |
