| SpectraBase Spectrum ID |
8v5pgKUNE5x |
| Name |
Isobutyl tiglate |
| CAS Registry Number |
61692-84-0 |
| 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 |
156.115029753 u |
| Formula |
C9H16O2 |
| 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/C9H16O2/c1-5-8(4)9(10)11-6-7(2)3/h5,7H,6H2,1-4H3/b8-5+ |
| InChIKey |
XDEGQMQKHFPBEW-VMPITWQZSA-N |
| Molecular Weight |
156.225 g/mol |
| Nominal Mass |
156 u |
| Number of Peaks |
84 |
| SMILES |
C\C=C\(C(OCC(C)C)=O)C |
| SPLASH |
splash10-0pc0-9200000000-c8fe84e952dc34d7cc5d |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001785 |
