| SpectraBase Spectrum ID |
1onUJqWO0Ad |
| Name |
Phenylacetate |
| Source of Sample |
SAFC Cat.no. W221007 |
| CAS Registry Number |
102-13-6 |
| 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 |
192.115029753 u |
| Formula |
C12H16O2 |
| InChI |
InChI=1S/C12H16O2/c1-10(2)9-14-12(13)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3 |
| InChIKey |
RJASFPFZACBKBE-UHFFFAOYSA-N |
| Molecular Weight |
192.258 g/mol |
| Number of Peaks |
50 |
| RI1 |
1388 |
| RI2 |
1067 |
| RI3 |
1284 |
| RI4 |
1244 |
| SMILES |
c1(ccccc1)CC(OCC(C)C)=O |
| SPLASH |
splash10-0006-9100000000-045ede07478229959058 |
| 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 |
Benzeneacetic acid, 2-methylpropyl ester |
| Wiley ID |
LM_FFNSC3_455 |
