| SpectraBase Spectrum ID |
A9gBkNjEBGS |
| Name |
Neobergamate |
| CAS Registry Number |
1118-39-4 |
| 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 |
196.146329882 u |
| Formula |
C12H20O2 |
| InChI |
InChI=1S/C12H20O2/c1-6-10(2)8-7-9-12(4,5)14-11(3)13/h6H,1-2,7-9H2,3-5H3 |
| InChIKey |
DCXXKSXLKWAZNO-UHFFFAOYSA-N |
| Molecular Weight |
196.290 g/mol |
| Number of Peaks |
50 |
| RI1 |
1258 |
| RI2 |
936 |
| RI3 |
987 |
| RI4 |
946 |
| SMILES |
C(CCCC(C=C)=C)(OC(C)=O)(C)C |
| SPLASH |
splash10-0006-9100000000-6b37b03f654cf0290228 |
| 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 |
7-Octen-2-ol, 2-methyl-6-methylene-, acetate |
| Wiley ID |
LM_FFNSC3_1301 |
