| SpectraBase Spectrum ID |
4AMoSfGaci |
| Name |
Exalatacin |
| CAS Registry Number |
23724-20-1 |
| 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 |
222.089208927 u |
| Formula |
C12H14O4 |
| 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/C12H14O4/c1-4-5-8-9(13-2)6-10-12(11(8)14-3)16-7-15-10/h4,6H,1,5,7H2,2-3H3 |
| InChIKey |
DLXIQKGNIITZEK-UHFFFAOYSA-N |
| Molecular Weight |
222.240 g/mol |
| Nominal Mass |
222 u |
| Number of Peaks |
154 |
| SMILES |
COc1c2c(cc(OC)c1CC=C)OCO2 |
| SPLASH |
splash10-0fmi-9820000000-79f2c45b00af3c98a966 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000569 |
