| SpectraBase Spectrum ID |
3q1vCIKaqO |
| Name |
Isobutyl benzoate |
| CAS Registry Number |
120-50-3 |
| 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/c1-9(2)8-13-11(12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3 |
| InChIKey |
KYZHGEFMXZOSJN-UHFFFAOYSA-N |
| Molecular Weight |
178.231 g/mol |
| Nominal Mass |
178 u |
| Number of Peaks |
104 |
| SMILES |
c1c(cccc1)C(OCC(C)C)=O |
| SPLASH |
splash10-0a4i-8900000000-69b74214d00a809ce0cb |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000742 |
