| SpectraBase Spectrum ID |
LALWC9cHvXk |
| Name |
Angelicalactone |
| Source of Sample |
SAFC Cat.no. W329304 |
| CAS Registry Number |
591-12-8 |
| 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 |
98.036779431 u |
| Formula |
C5H6O2 |
| InChI |
InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2H,3H2,1H3 |
| InChIKey |
QOTQFLOTGBBMEX-UHFFFAOYSA-N |
| Molecular Weight |
98.101 g/mol |
| Number of Peaks |
35 |
| RI1 |
864 |
| RI2 |
526 |
| RI3 |
788 |
| RI4 |
739 |
| RI5 |
837 |
| SMILES |
C1(OC(=CC1)C)=O |
| SPLASH |
splash10-0a4m-9000000000-e25c6ad0fc815bcb7730 |
| 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(3H)-Furanone, 5-methyl- |
| Wiley ID |
LM_FFNSC3_13 |
