| SpectraBase Spectrum ID |
9H7IkTGvXPV |
| Name |
Agglomerone |
| CAS Registry Number |
1534-04-9 |
| 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 |
238.120509056 u |
| Formula |
C13H18O4 |
| 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/C13H18O4/c1-7(2)11(15)10-8(14)6-9(17-5)13(3,4)12(10)16/h6-7,14H,1-5H3 |
| InChIKey |
ZLYRUMBXUOBQAT-UHFFFAOYSA-N |
| Molecular Weight |
238.283 g/mol |
| Nominal Mass |
238 u |
| Number of Peaks |
174 |
| SMILES |
OC=1C=C(OC)C(C(C1C(C(C)C)=O)=O)(C)C |
| SPLASH |
splash10-00dj-8960000000-fcbb5ae320b28f3b0eb4 |
| Source |
ex EUCALYPTUS BENSONII |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000040 |
