| SpectraBase Spectrum ID |
EwaK3YdEjkn |
| Name |
Benzene acetic 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 |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness) |
| GC Oven Program |
60 °C to 246 °C at 3 °C/min. |
| 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 |
| Nominal Mass |
226 u |
| Number of Peaks |
66 |
| SMILES |
c1cccc(c1)CC(Oc1cc(ccc1)C)=O |
| SPLASH |
splash10-014l-9500000000-d7416e357c6856a09a25 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000134 |
