| SpectraBase Spectrum ID |
4IgFYGOi3nc |
| Name |
Cyclobutanate |
| CAS Registry Number |
113889-23-9 |
| 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 |
220.146329882 u |
| Formula |
C14H20O2 |
| InChI |
InChI=1S/C14H20O2/c1-2-4-14(15)16-13-8-9-7-12(13)11-6-3-5-10(9)11/h3,6,9-13H,2,4-5,7-8H2,1H3 |
| InChIKey |
HMORNNFOVRWPKM-UHFFFAOYSA-N |
| Molecular Weight |
220.312 g/mol |
| Number of Peaks |
50 |
| RI1 |
1613 |
| RI2 |
1291 |
| SMILES |
C1C(C2C3C(C1C2)CC=C3)OC(CCC)=O |
| SPLASH |
splash10-01bc-9300000000-11660c97133129417977 |
| 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 |
Butanoic acid, 3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-indenyl ester |
| Wiley ID |
LM_FFNSC3_1243 |
