| SpectraBase Spectrum ID |
DFUfhj6tWIq |
| Name |
Dihydrojasmonate |
| CAS Registry Number |
39647-11-5 |
| 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 |
226.156894565 u |
| Formula |
C13H22O3 |
| InChI |
InChI=1S/C13H22O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h10-11H,3-9H2,1-2H3/t10-,11+/m1/s1 |
| InChIKey |
KVWWIYGFBYDJQC-MNOVXSKESA-N |
| Molecular Weight |
226.316 g/mol |
| Number of Peaks |
50 |
| RI1 |
1650 |
| RI2 |
1328 |
| RI3 |
1656 |
| RI4 |
1618 |
| SMILES |
C1[C@@]([C@@](C(C1)=O)(CCCCC)[H])(CC(OC)=O)[H] |
| SPLASH |
splash10-001i-9200000000-a2c65b0de7010de33724 |
| 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-pentyl-, methyl ester, (1R,2S)- |
| Wiley ID |
LM_FFNSC3_1612 |
