| SpectraBase Spectrum ID |
FLREc52igBz |
| Name |
Fruitate isomer I |
| CAS Registry Number |
129520-41-8 |
| 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 |
208.146329882 u |
| Formula |
C13H20O2 |
| InChI |
InChI=1S/C13H20O2/c1-2-15-12(14)13-7-3-4-11(13)9-5-6-10(13)8-9/h9-11H,2-8H2,1H3 |
| InChIKey |
MGQPKOBPXHENPO-UHFFFAOYSA-N |
| Molecular Weight |
208.301 g/mol |
| Number of Peaks |
50 |
| RI1 |
1453 |
| RI2 |
1131 |
| RI3 |
1308 |
| RI4 |
1264 |
| RI5 |
1430 |
| SMILES |
C12C3(CCCC3C(CC2)C1)C(=O)OCC |
| SPLASH |
splash10-03yl-6900000000-f8503db3daecd45d5e7f |
| 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 |
4,7-Methano-1H-indene-2-carboxylic acid, octahydro-, ethyl ester |
| Wiley ID |
LM_FFNSC3_3272 |
