| SpectraBase Spectrum ID |
5IvNMVYXmcz |
| Name |
Phenylacetate |
| CAS Registry Number |
102-19-2 |
| 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 |
206.130679818 u |
| Formula |
C13H18O2 |
| InChI |
InChI=1S/C13H18O2/c1-11(2)8-9-15-13(14)10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3 |
| InChIKey |
QWBQBUWZZBUFHN-UHFFFAOYSA-N |
| Molecular Weight |
206.285 g/mol |
| Number of Peaks |
50 |
| RI1 |
1489 |
| RI2 |
1167 |
| RI3 |
1385 |
| RI4 |
1348 |
| SMILES |
c1(CC(OCCC(C)C)=O)ccccc1 |
| SPLASH |
splash10-0006-9000000000-e7adff8771be52ea25a6 |
| 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, 3-methylbutyl ester |
| Wiley ID |
LM_FFNSC3_1284 |
