| SpectraBase Spectrum ID |
F6zh39waSmk |
| Name |
Methyl perillate |
| CAS Registry Number |
54298-90-7 |
| 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 |
180.115029753 u |
| Formula |
C11H16O2 |
| InChI |
InChI=1S/C11H16O2/c1-8(2)9-4-6-10(7-5-9)11(12)13-3/h6,9H,1,4-5,7H2,2-3H3 |
| InChIKey |
JMMLJZJUVKEVCK-UHFFFAOYSA-N |
| Molecular Weight |
180.247 g/mol |
| Number of Peaks |
50 |
| RI1 |
1393 |
| SMILES |
C=1(CCC(CC1)C(=C)C)C(OC)=O |
| SPLASH |
splash10-014l-9300000000-92b88dbc59c1b80df7ca |
| 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-(1-methylethenyl)-, methyl ester |
| Wiley ID |
LM_FFNSC3_2378 |
