| SpectraBase Spectrum ID |
AdveM1ncY28 |
| Name |
Seselin |
| CAS Registry Number |
523-59-1 |
| 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 |
228.078644243 u |
| Formula |
C14H12O3 |
| 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/C14H12O3/c1-14(2)8-7-10-11(17-14)5-3-9-4-6-12(15)16-13(9)10/h3-8H,1-2H3 |
| InChIKey |
QUVCQYQEIOLHFZ-UHFFFAOYSA-N |
| Molecular Weight |
228.247 g/mol |
| Nominal Mass |
228 u |
| Number of Peaks |
166 |
| SMILES |
C1(=O)Oc2c3c(ccc2C=C1)OC(C=C3)(C)C |
| SPLASH |
splash10-03di-2390000000-942797ab1194fdf6366c |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001246 |
