| SpectraBase Spectrum ID |
Ield81CLhMv |
| Name |
Jasmonate |
| Source of Sample |
SAFC Cat.no. W259802 |
| CAS Registry Number |
42536-97-0 |
| 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 |
224.141244501 u |
| Formula |
C13H20O3 |
| InChI |
InChI=1S/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h4-5,10-11H,3,6-9H2,1-2H3/b5-4-/t10-,11+/m1/s1 |
| InChIKey |
GEWDNTWNSAZUDX-KWKBKKAHSA-N |
| Molecular Weight |
224.300 g/mol |
| Number of Peaks |
50 |
| RI1 |
1676 |
| RI2 |
1353 |
| SMILES |
[C@@]1([C@@](C(CC1)=O)(C\C=C/CC)[H])(CC(=O)OC)[H] |
| SPLASH |
splash10-001l-9200000000-d414d7c91a526be2f3bc |
| 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 |
Cyclopentaneacetic acid, 3-oxo-2-(2Z)-2-pentenyl-, methyl ester, (1R,2S)- |
| Wiley ID |
LM_FFNSC3_1112 |
![2-[(1R,2S)-3-keto-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid methyl ester](/api/spectrum/Ield81CLhMv/structure.png?h=300&w=458 "2-[(1R,2S)-3-keto-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid methyl ester")
