| SpectraBase Spectrum ID |
GRZAaQudIWo |
| Name |
Isopropyl tiglate |
| CAS Registry Number |
1733-25-1 |
| 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 |
142.099379689 u |
| Formula |
C8H14O2 |
| 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/C8H14O2/c1-5-7(4)8(9)10-6(2)3/h5-6H,1-4H3/b7-5+ |
| InChIKey |
VUPBIVVRPJDWNW-FNORWQNLSA-N |
| Molecular Weight |
142.198 g/mol |
| Nominal Mass |
142 u |
| Number of Peaks |
85 |
| SMILES |
C(OC(C)C)(=O)\C(C)=C\C |
| SPLASH |
splash10-053u-9200000000-ff4b31403b5a110d62e3 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001805 |
