| SpectraBase Spectrum ID |
JJJyZCxSdnK |
| Name |
Benzene acetic acid, ethyl ester |
| CAS Registry Number |
101-97-3 |
| 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 |
164.083729624 u |
| Formula |
C10H12O2 |
| 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/C10H12O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3 |
| InChIKey |
DULCUDSUACXJJC-UHFFFAOYSA-N |
| Molecular Weight |
164.204 g/mol |
| Nominal Mass |
164 u |
| Number of Peaks |
94 |
| SMILES |
c1cc(CC(OCC)=O)ccc1 |
| SPLASH |
splash10-0006-9200000000-53d990aa484c84c9490a |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000135 |
