| SpectraBase Spectrum ID |
KBeziddSu4R |
| Name |
Acetophenone<2,4,6-trimethoxy-3-methyl-> |
| CAS Registry Number |
39701-13-8 |
| 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 |
224.104858991 u |
| Formula |
C12H16O4 |
| 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/C12H16O4/c1-7-9(14-3)6-10(15-4)11(8(2)13)12(7)16-5/h6H,1-5H3 |
| InChIKey |
JUWLMMHIOBSJSI-UHFFFAOYSA-N |
| Molecular Weight |
224.256 g/mol |
| Nominal Mass |
224 u |
| Number of Peaks |
117 |
| SMILES |
CC(=O)c1c(c(c(OC)cc1OC)C)OC |
| SPLASH |
splash10-0a4i-8980000000-9ca11d604d6cb58467eb |
| Source |
ex BACKHOUSIA BRANCROFTII |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000015 |
