| SpectraBase Spectrum ID |
HVTuMdAvU82 |
| Name |
Santonine |
| CAS Registry Number |
481-06-1 |
| 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 |
246.125594437 u |
| Formula |
C15H18O3 |
| InChI |
InChI=1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3 |
| InChIKey |
XJHDMGJURBVLLE-UHFFFAOYSA-N |
| Molecular Weight |
246.306 g/mol |
| Number of Peaks |
50 |
| RI1 |
2206 |
| SMILES |
CC1=C2C(C)(C=CC1=O)CCC1C(C)C(OC21)=O |
| SPLASH |
splash10-006x-8900000000-eed068b1dc5596ad58eb |
| 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 |
Naphtho[1,2-b]furan-2,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl- |
| Wiley ID |
LM_FFNSC3_2960 |
