| SpectraBase Spectrum ID |
7BTLnPEP7LK |
| Name |
Desmethoxy encecalin |
| CAS Registry Number |
19013-07-1 |
| 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 |
202.099379689 u |
| Formula |
C13H14O2 |
| InChI |
InChI=1S/C13H14O2/c1-9(14)10-4-5-12-11(8-10)6-7-13(2,3)15-12/h4-8H,1-3H3 |
| InChIKey |
ZAJTXVHECZCXLH-UHFFFAOYSA-N |
| Molecular Weight |
202.253 g/mol |
| Number of Peaks |
50 |
| RI1 |
1645 |
| SMILES |
C(=O)(c1cc2c(OC(C)(C)C=C2)cc1)C |
| SPLASH |
splash10-000i-2900000000-62417ee71165fda313ac |
| 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 |
Ethanone, 1-(2,2-dimethyl-2H-1-benzopyran-6-yl)- |
| Wiley ID |
LM_FFNSC3_2659 |
