| SpectraBase Spectrum ID |
8Px4yk8Qio |
| Name |
Benzeneacetic acid,3-methylphenyl ester |
| CAS Registry Number |
122-27-0 |
| 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 |
226.099379689 u |
| Formula |
C15H14O2 |
| InChI |
InChI=1S/C15H14O2/c1-12-6-5-9-14(10-12)17-15(16)11-13-7-3-2-4-8-13/h2-10H,11H2,1H3 |
| InChIKey |
LSWZGOVODYFNQO-UHFFFAOYSA-N |
| Molecular Weight |
226.275 g/mol |
| Number of Peaks |
28 |
| RI1 |
1830 |
| SMILES |
c1(OC(=O)Cc2ccccc2)cc(ccc1)C |
| SPLASH |
splash10-014l-9500000000-781f0c0c25a43af9320e |
| 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-methylphenyl ester |
| Wiley ID |
LM_FFNSC3_2142 |
