| SpectraBase Spectrum ID |
6AJlXlpmrc6 |
| Name |
Methyl butyl benzoate<2-> |
| CAS Registry Number |
52513-03-8 |
| 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 |
192.115029753 u |
| Formula |
C12H16O2 |
| 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/C12H16O2/c1-3-10(2)9-14-12(13)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3 |
| InChIKey |
PYZHESNNAPENLQ-UHFFFAOYSA-N |
| Molecular Weight |
192.258 g/mol |
| Nominal Mass |
192 u |
| Number of Peaks |
99 |
| SMILES |
c1cccc(c1)C(OCC(CC)C)=O |
| SPLASH |
splash10-0ab9-9500000000-72488c9178afd2d45a53 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000934 |
