| SpectraBase Spectrum ID |
14arXYOKG3c |
| Name |
Phenylacetate |
| Source of Sample |
SAFC Cat.no. W269018 |
| CAS Registry Number |
3549-23-3 |
| 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/c1-13(2,3)11-7-5-10(6-8-11)9-12(14)15-4/h5-8H,9H2,1-4H3 |
| InChIKey |
HXVTYMWVMVKVTF-UHFFFAOYSA-N |
| Molecular Weight |
206.285 g/mol |
| Number of Peaks |
50 |
| RI1 |
1502 |
| RI2 |
1179 |
| RI3 |
1433 |
| RI4 |
1393 |
| SMILES |
c1(ccc(cc1)CC(OC)=O)C(C)(C)C |
| SPLASH |
splash10-000x-2900000000-a77474151baef14afe23 |
| 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, 4-(1,1-dimethylethyl)-, methyl ester |
| Wiley ID |
LM_FFNSC3_559 |
