| SpectraBase Spectrum ID |
3Jw3S4zD8m2 |
| Name |
Capillin |
| CAS Registry Number |
495-74-9 |
| 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 |
168.057514877 u |
| Formula |
C12H8O |
| 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/C12H8O/c1-2-3-5-10-12(13)11-8-6-4-7-9-11/h4,6-9H,1H3 |
| InChIKey |
RAZOKRUZEQERLH-UHFFFAOYSA-N |
| Molecular Weight |
168.195 g/mol |
| Nominal Mass |
168 u |
| Number of Peaks |
122 |
| SMILES |
c1c(cccc1)C(C#CC#CC)=O |
| SPLASH |
splash10-000f-6900000000-e7d5dc9a720c9b12eead |
| Source |
ex SANTOLINA ROSMARINIFOLIA |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000252 |
