| SpectraBase Spectrum ID |
9K4SDUko8TK |
| Name |
Propionate |
| Source of Sample |
SAFC Cat.no. W216305 |
| CAS Registry Number |
2756-56-1 |
| Copyright |
Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
210.161979946 u |
| Formula |
C13H22O2 |
| InChI |
InChI=1S/C13H22O2/c1-5-11(14)15-10-8-9-6-7-13(10,4)12(9,2)3/h9-10H,5-8H2,1-4H3/t9-,10-,13+/m1/s1 |
| InChIKey |
FAFMZORPAAGQFV-BREBYQMCSA-N |
| Molecular Weight |
210.317 g/mol |
| Number of Peaks |
50 |
| RI1 |
1384 |
| RI2 |
1063 |
| RI3 |
1057 |
| RI4 |
1014 |
| SMILES |
C1[C@]2([C@@](C[C@@](C1)(C2(C)C)[H])(OC(=O)CC)[H])C |
| SPLASH |
splash10-0a4m-9300000000-1f83815b41ee03762c5d |
| 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 |
Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, propanoate |
| Wiley ID |
LM_FFNSC3_528 |
