| SpectraBase Spectrum ID |
CJZr2wzUF8N |
| Name |
Isobutyl benzoate |
| CAS Registry Number |
120-50-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H14O2 |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m 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 |
| 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 |
1886503 |
