| SpectraBase Spectrum ID |
9WHuIyJTW86 |
| Name |
Methyl p-tert-butylphenyl acetate |
| CAS Registry Number |
3549-23-3 |
| 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 |
206.130679818 u |
| Formula |
C13H18O2 |
| 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/C13H18O2/c1-13(2,3)11-7-5-10(6-8-11)9-12(14)15-4/h5-8H,9H2,1-4H3 |
| InChIKey |
HXVTYMWVMVKVTF-UHFFFAOYSA-N |
| Molecular Weight |
206.285 g/mol |
| Nominal Mass |
206 u |
| Number of Peaks |
116 |
| SMILES |
COC(=O)Cc1ccc(C(C)(C)C)cc1 |
| SPLASH |
splash10-0006-2900000000-cba433de218d591f27a8 |
| Source |
ex ALDRICH |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000953 |
