| SpectraBase Spectrum ID |
9uqnbLQZLMS |
| Name |
Agglomerone |
| CAS Registry Number |
1534-04-9 |
| Copyright |
Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 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 |
| 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 |
| Number of Peaks |
50 |
| RI1 |
1693 |
| SMILES |
OC=1C=C(C(C(C1C(C(C)C)=O)=O)(C)C)OC |
| SPLASH |
splash10-00dj-9860000000-b81d191fdb95d230322a |
| Sample Comments |
RI1: measured on SLB-5ms (Hydro)
RI2: measured on SLB-5ms (FAMEs)
RI3: measured on Supelcowax-10 (FAMEs)
RI4: measured on Supelcowax-10 (FAEEs)
RI5: measured on Equity-1 (Hydro) |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
2,4-Cyclohexadien-1-one, 3-hydroxy-5-methoxy-6,6-dimethyl-2-(2-methyl-1-oxopropyl)- |
| Wiley ID |
LM_FFNSC3_2278 |
