| SpectraBase Spectrum ID |
2hYNVJVWyOB |
| Name |
Heptalactone |
| CAS Registry Number |
105-21-5 |
| 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 |
128.083729624 u |
| Formula |
C7H12O2 |
| 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/C7H12O2/c1-2-3-6-4-5-7(8)9-6/h6H,2-5H2,1H3 |
| InChIKey |
VLSVVMPLPMNWBH-UHFFFAOYSA-N |
| Molecular Weight |
128.171 g/mol |
| Nominal Mass |
128 u |
| Number of Peaks |
52 |
| SMILES |
C(CC1OC(=O)CC1)C |
| SPLASH |
splash10-000i-9000000000-b1c79765da5916376eb8 |
| Source |
ex BEDOUKIAN CHEM ex J J BROPHY |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001668 |
