| SpectraBase Spectrum ID |
JLr1kg3caNL |
| Name |
Valerolactone |
| CAS Registry Number |
108-29-2 |
| 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 |
100.052429496 u |
| Formula |
C5H8O2 |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness) |
| GC Oven Program |
60 °C to 246 °C at 3 °C/min. |
| InChI |
InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3 |
| InChIKey |
GAEKPEKOJKCEMS-UHFFFAOYSA-N |
| Molecular Weight |
100.117 g/mol |
| Nominal Mass |
100 u |
| Number of Peaks |
26 |
| SMILES |
C1(C)OC(=O)CC1 |
| SPLASH |
splash10-052f-9000000000-0e5055ed8ed175cef19b |
| Source |
ex ALDRICH |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA002139 |
