| SpectraBase Spectrum ID |
KEi3HL0lyfP |
| Name |
Hexalactone |
| CAS Registry Number |
502-44-3 |
| 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 |
114.068079560 u |
| Formula |
C6H10O2 |
| InChI |
InChI=1S/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H2 |
| InChIKey |
PAPBSGBWRJIAAV-UHFFFAOYSA-N |
| Molecular Weight |
114.144 g/mol |
| Number of Peaks |
42 |
| RI1 |
1137 |
| RI2 |
814 |
| SMILES |
C1CCCCC(O1)=O |
| SPLASH |
splash10-052f-9000000000-671c3a635bd5c16505b1 |
| 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-Oxepanone |
| Wiley ID |
LM_FFNSC3_1173 |
