| SpectraBase Spectrum ID |
8c90dYLqfqp |
| Name |
Citronellic acid |
| Source of Sample |
SAFC Cat.no. W314218 |
| CAS Registry Number |
502-47-6 |
| 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 |
170.130679818 u |
| Formula |
C10H18O2 |
| InChI |
InChI=1S/C10H18O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,9H,4,6-7H2,1-3H3,(H,11,12) |
| InChIKey |
GJWSUKYXUMVMGX-UHFFFAOYSA-N |
| Molecular Weight |
170.252 g/mol |
| Number of Peaks |
50 |
| RI1 |
1347 |
| RI2 |
1025 |
| RI3 |
1627 |
| RI4 |
1588 |
| SMILES |
OC(CC(CCC=C(C)C)C)=O |
| SPLASH |
splash10-066u-9100000000-fcac775b1e70ea26f2a7 |
| 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 |
6-Octenoic acid, 3,7-dimethyl- |
| Wiley ID |
LM_FFNSC3_78 |
