| SpectraBase Spectrum ID |
83u3S5H1NMN |
| Name |
Phenyl ethyl propanoate<2-> |
| CAS Registry Number |
122-70-3 |
| 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 |
178.099379689 u |
| Formula |
C11H14O2 |
| 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/C11H14O2/c1-2-11(12)13-9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3 |
| InChIKey |
HVGZQCSMLUDISR-UHFFFAOYSA-N |
| Molecular Weight |
178.231 g/mol |
| Nominal Mass |
178 u |
| Number of Peaks |
91 |
| SMILES |
C(Cc1ccccc1)OC(CC)=O |
| SPLASH |
splash10-0zfr-7900000000-6bfcb284f6388eb5ef29 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001105 |
