| SpectraBase Spectrum ID |
3UfxYz0q5g |
| Name |
Phenyl ethyl tiglate<2-> |
| CAS Registry Number |
55719-85-2 |
| 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 |
204.115029753 u |
| Formula |
C13H16O2 |
| 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/C13H16O2/c1-3-11(2)13(14)15-10-9-12-7-5-4-6-8-12/h3-8H,9-10H2,1-2H3/b11-3+ |
| InChIKey |
KVMWYGAYARXPOL-QDEBKDIKSA-N |
| Molecular Weight |
204.269 g/mol |
| Nominal Mass |
204 u |
| Number of Peaks |
58 |
| SMILES |
C\C=C\(C(OCCc1ccccc1)=O)C |
| SPLASH |
splash10-0zfr-9700000000-ff26b56c7229aa95dd03 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001106 |
