| SpectraBase Spectrum ID |
Bxq27ZdonOs |
| Name |
Methyl benzoate |
| CAS Registry Number |
93-58-3 |
| 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 |
136.052429496 u |
| Formula |
C8H8O2 |
| 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/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3 |
| InChIKey |
QPJVMBTYPHYUOC-UHFFFAOYSA-N |
| Molecular Weight |
136.150 g/mol |
| Nominal Mass |
136 u |
| Number of Peaks |
60 |
| SMILES |
COC(=O)c1ccccc1 |
| SPLASH |
splash10-0a6r-9800000000-10e2c008d3c383372830 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000929 |
